Cas no 114717-04-3 (L-Proline,3-hydroxy-5-methyl-, (2a,3b,5b)- (9CI))
114717-04-3 structure
Product Name:L-Proline,3-hydroxy-5-methyl-, (2a,3b,5b)- (9CI)
CAS No:114717-04-3
MF:C6H11NO3
MW:145.156441926956
CID:130431
PubChem ID:13891969
Update Time:2025-04-19
L-Proline,3-hydroxy-5-methyl-, (2a,3b,5b)- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- L-Proline,3-hydroxy-5-methyl-, (2a,3b,5b)- (9CI)
- L-Proline, 3-hydroxy-5-methyl-, (2alpha,3beta,5beta)- (9CI)
- (2S,3S,5R)-3-hydroxy-5-methylpyrrolidine-2-carboxylic acid
- AKOS006354727
- SCHEMBL3512951
- 114717-04-3
-
- Inchi： 1S/C6H11NO3/c1-3-2-4(8)5(7-3)6(9)10/h3-5,7-8H,2H2,1H3,(H,9,10)/t3-,4+,5+/m1/s1
- InChI Key： RVIGBNHLNBRMFX-WISUUJSJSA-N
- SMILES： O[C@@H]1[C@@H](C(=O)O)N[C@H](C)C1
Computed Properties
- Exact Mass: 145.07393
- Monoisotopic Mass: 145.07389321g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 10
- Rotatable Bond Count: 1
- Complexity: 148
- 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: -2.4
- Topological Polar Surface Area: 69.6?2
Experimental Properties
- PSA: 69.56
L-Proline,3-hydroxy-5-methyl-, (2a,3b,5b)- (9CI) Related Literature
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Jonas Kind,Lukas Kaltschnee,Martin Leyendecker,Christina M. Thiele Chem. Commun., 2016,52, 12506-12509
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