Cas no 586409-91-8 (5-(Carboxymethyl)proline)
5-(Carboxymethyl)proline structure
Product Name:5-(Carboxymethyl)proline
CAS No:586409-91-8
MF:C7H11NO4
MW:173.166542291641
CID:948810
PubChem ID:447989
Update Time:2024-02-29
5-(Carboxymethyl)proline Chemical and Physical Properties
Names and Identifiers
-
- 2-Pyrrolidineaceticacid,5-carboxy-,(2S,5S)-(9CI)
- 5-(Carboxymethyl)proline
- 2-Pyrrolidineaceticacid, 5-carboxy-
- 5-(Carboxymethyl)pyrrolidine-2-carboxylic acid
- DB03215
- (2S,5S)-trans-Carboxymethylproline
- SCHEMBL3393071
- SSC
- CHEBI:45757
- C17366
- (5S)-5-(carboxymethyl)-L-proline
- NS00070049
- Q27120625
- 586409-91-8
- (2S,5S)-5-(carboxymethyl)pyrrolidine-2-carboxylic acid
- (2S,5S)-5-CARBOXYMETHYLPROLINE
-
- Inchi： 1S/C7H11NO4/c9-6(10)3-4-1-2-5(8-4)7(11)12/h4-5,8H,1-3H2,(H,9,10)(H,11,12)
- InChI Key： LIZWYFXJOOUDNV-UHFFFAOYSA-N
- SMILES： OC(C1CCC(CC(=O)O)N1)=O
Computed Properties
- Exact Mass: 173.06880783g/mol
- Monoisotopic Mass: 173.06880783g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 12
- Rotatable Bond Count: 3
- Complexity: 204
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 2
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -2.8
- Topological Polar Surface Area: 86.6
5-(Carboxymethyl)proline Related Literature
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Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
-
Yang Chen,Di Zhou,Zheyi Meng,Jin Zhai Chem. Commun., 2016,52, 10020-10023
-
Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
-
Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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