Cas no 145513-93-5 ((2S,3aS,7aR)-Octahydro-1H-indole-2-carboxylic Acid)
145513-93-5 structure
Product Name:(2S,3aS,7aR)-Octahydro-1H-indole-2-carboxylic Acid
CAS No:145513-93-5
MF:C9H15NO2
MW:169.220902681351
CID:103570
PubChem ID:7408450
Update Time:2025-04-18
(2S,3aS,7aR)-Octahydro-1H-indole-2-carboxylic Acid Chemical and Physical Properties
Names and Identifiers
-
- 1H-Indole-2-carboxylicacid, octahydro-, (2S,3aS,7aR)-
- (2S,3aS,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxylic acid
- (2S,3aS,7aR)-Octahydro-1H-indole-2-carboxylic Acid
- Perindopril Related Compound 5
- 1H-Indole-2-carboxylicacid,octahydro-,(2S,3aS,7aR)-(9CI)
- (2S,3aS,7aR)-Octahydro-indole-2-carboxylic acid
- 145513-93-5
- Q27094337
- AKOS015898390
- 1H-Indole-2-carboxylic acid, octahydro-, (2S,3aS,7aR)-
- (2S, 3aS,7aR)-Octahydro-indole-2-carboxylic acid
- Octahydroindole-2-Carboxylic Acid
- (2S,3aS,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-indol-1-ium-2-carboxylate
- SCHEMBL5748972
-
- 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-/m0/s1
- InChI Key： CQYBNXGHMBNGCG-RNJXMRFFSA-N
- SMILES： OC([C@@H]1C[C@@H]2CCCC[C@H]2N1)=O
Computed Properties
- Exact Mass: 169.11035
- 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
Experimental Properties
- PSA: 49.33
(2S,3aS,7aR)-Octahydro-1H-indole-2-carboxylic Acid Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | O236520-10mg |
(2S,3aS,7aR)-Octahydro-1H-indole-2-carboxylic Acid |
145513-93-5 | 10mg |
$345.00 | 2023-05-17 | ||
| TRC | O236520-100mg |
(2S,3aS,7aR)-Octahydro-1H-indole-2-carboxylic Acid |
145513-93-5 | 100mg |
$2738.00 | 2023-05-17 | ||
| TRC | O236520-500mg |
(2S,3aS,7aR)-Octahydro-1H-indole-2-carboxylic Acid |
145513-93-5 | 500mg |
$ 11200.00 | 2023-09-06 |
(2S,3aS,7aR)-Octahydro-1H-indole-2-carboxylic Acid Related Literature
-
Vladimir Kubyshkin,Nediljko Budisa Org. Biomol. Chem. 2017 15 619
-
Vladimir Kubyshkin,Nediljko Budisa Org. Biomol. Chem. 2019 17 2502
-
Federico Maria Cecchinelli,Giuseppe Celentano,Alessandra Puglisi,Nicoletta Gaggero Org. Biomol. Chem. 2020 18 671
-
ZiQi Yu,Min Shi Chem. Commun. 2022 58 13539
-
David C. Marcote,Rosie Street-Jeakings,Elizabeth Dauncey,James J. Douglas,Alessandro Ruffoni,Daniele Leonori Org. Biomol. Chem. 2019 17 1839
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