Cas no 114681-13-9 (L-Proline,3-hydroxy-5-methyl-, methyl ester, (2a,3b,5a)- (9CI))
114681-13-9 structure
Product Name:L-Proline,3-hydroxy-5-methyl-, methyl ester, (2a,3b,5a)- (9CI)
CAS No:114681-13-9
MF:C7H13NO3
MW:159.183022260666
CID:130417
PubChem ID:13891967
Update Time:2025-04-19
L-Proline,3-hydroxy-5-methyl-, methyl ester, (2a,3b,5a)- (9CI) Chemical and Physical Properties
Names and Identifiers
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- L-Proline,3-hydroxy-5-methyl-, methyl ester, (2a,3b,5a)- (9CI)
- L-Proline, 3-hydroxy-5-methyl-, methyl ester, (2alpha,3beta,5alpha)- (9CI)
- (2S,3S,5S)-Methyl 3-hydroxy-5-methylpyrrolidine-2-carboxylate
- 114681-13-9
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- Inchi： 1S/C7H13NO3/c1-4-3-5(9)6(8-4)7(10)11-2/h4-6,8-9H,3H2,1-2H3/t4-,5-,6-/m0/s1
- InChI Key： NDYLGOSCKAEYLM-ZLUOBGJFSA-N
- SMILES： O[C@@H]1[C@@H](C(=O)OC)N[C@@H](C)C1
Computed Properties
- Exact Mass: 159.08959
- Monoisotopic Mass: 159.08954328g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 11
- Rotatable Bond Count: 2
- Complexity: 160
- 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: 0.2
- Topological Polar Surface Area: 58.6?2
Experimental Properties
- PSA: 58.56
L-Proline,3-hydroxy-5-methyl-, methyl ester, (2a,3b,5a)- (9CI) Related Literature
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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Jason Wan Lab Chip, 2020,20, 4528-4538
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Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
114681-13-9 (L-Proline,3-hydroxy-5-methyl-, methyl ester, (2a,3b,5a)- (9CI)) Related Products
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