(2R)-2-[(5-oxopyrrolidine-2-carbonyl)amino]-2-phenylacetic acid

C13H14N2O4 — CID 61145312

IUPAC(2R)-2-[(5-oxopyrrolidine-2-carbonyl)amino]-2-phenylacetic acid
SMILESO=C1CCC(C(=O)N[C@@H](C(=O)O)c2ccccc2)N1
InChIInChI=1S/C13H14N2O4/c16-10-7-6-9(14-10)12(17)15-11(13(18)19)8-4-2-1-3-5-8/h1-5,9,11H,6-7H2,(H,14,16)(H,15,17)(H,18,19)/t9?,11-/m1/s1
InChIKeyXIZVOODBXREQKH-HCCKASOXSA-N
MW262.26 g/mol
LogP0.21
Rot. Bonds4

About (2R)-2-[(5-oxopyrrolidine-2-carbonyl)amino]-2-phenylacetic acid

(2R)-2-[(5-oxopyrrolidine-2-carbonyl)amino]-2-phenylacetic acid (PubChem CID 61145312) has the molecular formula C13H14N2O4 and a molecular weight of 262.26 g/mol. Its IUPAC name is (2R)-2-[(5-oxopyrrolidine-2-carbonyl)amino]-2-phenylacetic acid.

Molecular Properties

Compound Name(2R)-2-[(5-oxopyrrolidine-2-carbonyl)amino]-2-phenylacetic acid
PubChem CID61145312
Molecular FormulaC13H14N2O4
Molecular Weight262.26 g/mol
Exact Mass262.10
IUPAC Name(2R)-2-[(5-oxopyrrolidine-2-carbonyl)amino]-2-phenylacetic acid
SMILESO=C1CCC(C(=O)N[C@@H](C(=O)O)c2ccccc2)N1
InChIInChI=1S/C13H14N2O4/c16-10-7-6-9(14-10)12(17)15-11(13(18)19)8-4-2-1-3-5-8/h1-5,9,11H,6-7H2,(H,14,16)(H,15,17)(H,18,19)/t9?,11-/m1/s1
InChIKeyXIZVOODBXREQKH-HCCKASOXSA-N
XLogP0.21
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 50.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-[(R)-cyclopropyl(phenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 95283633
3-[(5-oxopyrrolidine-2-carbonyl)amino]-3-phenylpropanoic acid
CID 24690464
(2R)-2-[(2-oxo-1,3-thiazolidine-4-carbonyl)amino]-2-phenylacetic acid
CID 61143353
(2S)-N-[(1R)-2-(4-fluorophenyl)-1-phenylethyl]-5-oxopyrrolidine-2-carboxamide
CID 95234220
5-oxo-N-(1-phenylpropan-2-yl)pyrrolidine-2-carboxamide
CID 3051644
(2S)-N-[(R)-1-benzofuran-2-yl(phenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 95905263
(2R)-2-(cyclooctanecarbonylamino)-2-phenylacetic acid
CID 65018923
(2S)-5-oxo-N-propan-2-ylpyrrolidine-2-carboxamide
CID 11105798
5-oxo-N-(1-pyridin-3-ylethyl)pyrrolidine-2-carboxamide
CID 110743910
(2S)-3,3-dimethyl-2-[(5-oxopyrrolidine-2-carbonyl)amino]butanoic acid
CID 61144089
(2S,5R)-5-[[carboxy(phenyl)methyl]carbamoyl]oxolane-2-carboxylic acid
CID 167986499
(2S)-2-(oxane-4-carbonylamino)-2-phenylacetic acid
CID 28778740

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(5-oxopyrrolidine-2-carbonyl)amino]-2-phenylacetic acid?
The IUPAC name of (2R)-2-[(5-oxopyrrolidine-2-carbonyl)amino]-2-phenylacetic acid (CID 61145312) is (2R)-2-[(5-oxopyrrolidine-2-carbonyl)amino]-2-phenylacetic acid.
What is the SMILES notation for (2R)-2-[(5-oxopyrrolidine-2-carbonyl)amino]-2-phenylacetic acid?
The canonical SMILES for (2R)-2-[(5-oxopyrrolidine-2-carbonyl)amino]-2-phenylacetic acid is O=C1CCC(C(=O)N[C@@H](C(=O)O)c2ccccc2)N1.
What is the InChIKey of (2R)-2-[(5-oxopyrrolidine-2-carbonyl)amino]-2-phenylacetic acid?
The InChIKey is XIZVOODBXREQKH-HCCKASOXSA-N. The full InChI is InChI=1S/C13H14N2O4/c16-10-7-6-9(14-10)12(17)15-11(13(18)19)8-4-2-1-3-5-8/h1-5,9,11H,6-7H2,(H,14,16)(H,15,17)(H,18,19)/t9?,11-/m1/s1.
What are the key properties of (2R)-2-[(5-oxopyrrolidine-2-carbonyl)amino]-2-phenylacetic acid?
(2R)-2-[(5-oxopyrrolidine-2-carbonyl)amino]-2-phenylacetic acid has a molecular weight of 262.26 g/mol, XLogP of 0.21, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(5-oxopyrrolidine-2-carbonyl)amino]-2-phenylacetic acid is sourced from PubChem (CID 61145312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).