Cas no 145513-90-2 ((2S,3aR,7aR)-octahydro-1H-indole-2-carboxylic acid)

(2S,3aR,7aR)-Octahydro-1H-indole-2-carboxylic acid is a chiral bicyclic amino acid derivative characterized by its rigid indoline scaffold and stereochemically defined configuration. This compound serves as a valuable intermediate in organic synthesis and pharmaceutical research, particularly in the development of peptidomimetics and constrained analogs due to its conformational rigidity. The stereospecificity at the 2S, 3aR, and 7aR positions ensures high enantiopurity, making it suitable for asymmetric synthesis and chiral auxiliary applications. Its stability under standard conditions and compatibility with common coupling reagents further enhance its utility in peptide and heterocycle modifications. The structural features of this compound also lend themselves to probing bioactive conformations in medicinal chemistry.

(2S,3aR,7aR)-octahydro-1H-indole-2-carboxylic acid structure

145513-90-2 structure

Product Name:(2S,3aR,7aR)-octahydro-1H-indole-2-carboxylic acid

CAS No:145513-90-2

MF:C₉H₁₅NO₂

MW:169.220902681351

MDL:MFCD18432550

CID:101590

PubChem ID:7408454

Update Time:2025-10-12

(2S,3aR,7aR)-octahydro-1H-indole-2-carboxylic acid Chemical and Physical Properties

Names and Identifiers

- 1H-Indole-2-carboxylicacid, octahydro-, (2S,3aR,7aR)-
- (2S,3aR,7aR)-Octahydro-1H-indolium-2-carboxylate
- (+/-)-(2R*,4R*)-4-(dimethylamino)-2-phenyl-2-(2-pyridyl)pentanamide
- (+/-)-(2S,3aS,7aS)-octahydroindole-2-carboxylic acid
- (1S,2S)-4-(2,6-Diamino-9H-purin-9-yl)cyclopentane-1,2-diol
- 1,2-Cyclopentanediol,4-(2,6-diamino-9H-purin-9-yl)-, (1a,2b,4a)- (9CI)
- 1,2-Cyclopentanediol,4-(2,6-diamino-9H-purin-9-yl)-, (1a,2b,4a)-(?A'A A'
- 1,2-Cyclopentanediol,4-(2,6-diamino-9H-purin-9-yl)-, (1R,2R)-rel-
- AC1LAH53
- AG-D-81062
- CTK4C2205
- Perindopril Related Compound 3
- (2S, 3aR,7aR)-Octahydro-indole-2-carboxylic acid
- (2S,3aR,7aR)-Octahydro-1H-indol-2-carboxylic acid
- 1H-Indole-2-carboxylicacid,octahydro-,(2S,3aR,7aR)-(9CI)
- (2S,3aR,7aR)-Octahydro-indole-2-carboxylic acid
- (2S,3aR,7aR)-octahydro-1H-indole-2-carboxylic acid
- (2S, 3aR,7aR)-rel-Octahydro-indole-2-carboxylic acid
- 145513-90-2
- (2S,3aR,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxylic acid
- Rel-(2S,3aR,7aR)-octahydro-1H-indole-2-carboxylic acid
- CS-0056103
- 87679-20-7
- SCHEMBL3330154
- MDL： MFCD18432550
- Inchi： 1S/C9H15NO2/c11-9(12)8-5-6-3-1-2-4-7(6)10-8/h6-8,10H,1-5H2,(H,11,12)/t6-,7-,8+/m1/s1
- InChI Key： CQYBNXGHMBNGCG-PRJMDXOYSA-N
- SMILES： OC([C@@H]1C[C@H]2CCCC[C@H]2N1)=O

Computed Properties

Exact Mass: 169.110278721g/mol
Monoisotopic Mass: 169.110278721g/mol
Isotope Atom Count: 0
Hydrogen Bond Donor Count: 2
Hydrogen Bond Acceptor Count: 3
Heavy Atom Count: 12
Rotatable Bond Count: 1
Complexity: 193
Covalently-Bonded Unit Count: 1
Defined Atom Stereocenter Count: 3
Undefined Atom Stereocenter Count : 0
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
XLogP3: -1
Topological Polar Surface Area: 49.3?2

(2S,3aR,7aR)-octahydro-1H-indole-2-carboxylic acid Pricemore >>

Related Categories	No.	Product Name	Cas No.	Purity	Specification	Price	update time
NAN JING YAO SHI KE JI GU FEN Co., Ltd.	PBHMA104-100 MG	(2S,3aR,7aR)-octahydro-1H-indole-2-carboxylic acid	145513-90-2	95%	100MG	￥ 5,121.00	2021-05-07
NAN JING YAO SHI KE JI GU FEN Co., Ltd.	PBHMA104-250 MG	(2S,3aR,7aR)-octahydro-1H-indole-2-carboxylic acid	145513-90-2	95%	250MG	￥ 7,682.00	2021-05-07
NAN JING YAO SHI KE JI GU FEN Co., Ltd.	PBHMA104-500 MG	(2S,3aR,7aR)-octahydro-1H-indole-2-carboxylic acid	145513-90-2	95%	500MG	￥ 10,243.00	2021-05-07
NAN JING YAO SHI KE JI GU FEN Co., Ltd.	PBHMA104-1 G	(2S,3aR,7aR)-octahydro-1H-indole-2-carboxylic acid	145513-90-2	95%	1g	￥ 12,804.00	2021-05-07
JIE DA WEI （ SHANG HAI ） YI YAO KE JI FA ZHAN Co., Ltd.	48R0598-1g	(2S, 3aR,7aR)-Octahydro-indole-2-carboxylic acid	145513-90-2	96%	1g	24423.62CNY	2021-05-07
JIE DA WEI （ SHANG HAI ） YI YAO KE JI FA ZHAN Co., Ltd.	48R0598-5g	(2S, 3aR,7aR)-Octahydro-indole-2-carboxylic acid	145513-90-2	96%	5g	83786.59CNY	2021-05-07
JIE DA WEI （ SHANG HAI ） YI YAO KE JI FA ZHAN Co., Ltd.	48R0598-500mg	(2S, 3aR,7aR)-Octahydro-indole-2-carboxylic acid	145513-90-2	96%	500mg	12635.83CNY	2021-05-07
JIE DA WEI （ SHANG HAI ） YI YAO KE JI FA ZHAN Co., Ltd.	48R0598-250mg	(2S, 3aR,7aR)-Octahydro-indole-2-carboxylic acid	145513-90-2	96%	250mg	6767.38CNY	2021-05-07
JIE DA WEI （ SHANG HAI ） YI YAO KE JI FA ZHAN Co., Ltd.	48R0598-100mg	(2S, 3aR,7aR)-Octahydro-indole-2-carboxylic acid	145513-90-2	96%	100mg	3807.71CNY	2021-05-07
JIE DA WEI （ SHANG HAI ） YI YAO KE JI FA ZHAN Co., Ltd.	48R0598-50mg	(2S, 3aR,7aR)-Octahydro-indole-2-carboxylic acid	145513-90-2	96%	50mg	2332.12CNY	2021-05-07