Cas no 133740-47-3 ((3S,4S)-3-(carboxymethyl)-4-(6-oxo-1,6-dihydropyridin-3-yl)-L-proline)
133740-47-3 structure
Product Name:(3S,4S)-3-(carboxymethyl)-4-(6-oxo-1,6-dihydropyridin-3-yl)-L-proline
CAS No:133740-47-3
MF:C12H14N2O5
MW:266.249963283539
CID:1233944
PubChem ID:179248
Update Time:2025-04-20
(3S,4S)-3-(carboxymethyl)-4-(6-oxo-1,6-dihydropyridin-3-yl)-L-proline Chemical and Physical Properties
Names and Identifiers
-
- (3S,4S)-3-(carboxymethyl)-4-(6-oxo-1,6-dihydropyridin-3-yl)-L-proline
- Acromelic acid C
- (2S)-2α-Carboxy-4β-[(2-oxo-1,2-dihydropyridin)-5-yl]pyrrolidine-3β-acetic acid
- (2S,3S,4S)-3-(carboxymethyl)-4-(6-oxo-1H-pyridin-3-yl)pyrrolidine-2-carboxylic acid
- DTXSID20158350
- (2S)-2alpha-Carboxy-4beta-[(2-oxo-1,2-dihydropyridin)-5-yl]pyrrolidine-3beta-acetic acid
- (+)-Acromelic acid C
- CHEBI:212144
- 3-Pyrrolidineacetic acid, 2-carboxy-4-(1,6-dihydro-6-oxo-3-pyridinyl)-, (2S,3S,4S)-
- 133740-47-3
- CHEMBL4761641
-
- Inchi： 1S/C12H14N2O5/c15-9-2-1-6(4-13-9)8-5-14-11(12(18)19)7(8)3-10(16)17/h1-2,4,7-8,11,14H,3,5H2,(H,13,15)(H,16,17)(H,18,19)/t7-,8+,11-/m0/s1
- InChI Key： IZOVOLIVYUHJAA-RNSXUZJQSA-N
- SMILES： OC([C@@H]1[C@@H](CC(=O)O)[C@@H](C2C=CC(NC=2)=O)CN1)=O
Computed Properties
- Exact Mass: 266.09032
- Monoisotopic Mass: 266.09027155g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 19
- Rotatable Bond Count: 4
- Complexity: 483
- 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: -3.7
- Topological Polar Surface Area: 116?2
Experimental Properties
- PSA: 115.73
(3S,4S)-3-(carboxymethyl)-4-(6-oxo-1,6-dihydropyridin-3-yl)-L-proline Related Literature
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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