2-[2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]phenyl]acetic acid

C13H14N2O4 — CID 113265030

IUPAC2-[2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]phenyl]acetic acid
SMILESO=C(O)Cc1ccccc1NC(=O)[C@@H]1CCC(=O)N1
InChIInChI=1S/C13H14N2O4/c16-11-6-5-10(14-11)13(19)15-9-4-2-1-3-8(9)7-12(17)18/h1-4,10H,5-7H2,(H,14,16)(H,15,19)(H,17,18)/t10-/m0/s1
InChIKeyBYUQLUUZHXPALC-JTQLQIEISA-N
MW262.26 g/mol
LogP0.53
Rot. Bonds4

About 2-[2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]phenyl]acetic acid

2-[2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]phenyl]acetic acid (PubChem CID 113265030) has the molecular formula C13H14N2O4 and a molecular weight of 262.26 g/mol. Its IUPAC name is 2-[2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]phenyl]acetic acid
PubChem CID113265030
Molecular FormulaC13H14N2O4
Molecular Weight262.26 g/mol
Exact Mass262.10
IUPAC Name2-[2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]phenyl]acetic acid
SMILESO=C(O)Cc1ccccc1NC(=O)[C@@H]1CCC(=O)N1
InChIInChI=1S/C13H14N2O4/c16-11-6-5-10(14-11)13(19)15-9-4-2-1-3-8(9)7-12(17)18/h1-4,10H,5-7H2,(H,14,16)(H,15,19)(H,17,18)/t10-/m0/s1
InChIKeyBYUQLUUZHXPALC-JTQLQIEISA-N
XLogP0.53
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 ≤ 50.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(aminomethyl)phenyl]-5-oxopyrrolidine-2-carboxamide
CID 64882512
N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-5-oxopyrrolidine-2-carboxamide
CID 71943341
2-[2-(pyrrolidine-2-carbonylamino)phenyl]acetic acid
CID 62534786
2-[4-[(5-oxopyrrolidine-2-carbonyl)amino]phenyl]acetic acid
CID 24710537
5-oxo-N-(2-propan-2-ylphenyl)pyrrolidine-2-carboxamide
CID 42909016
2-[2-(azepane-2-carbonylamino)phenyl]acetic acid
CID 64568355
2-[3-[[(2R)-5-oxopyrrolidine-2-carbonyl]amino]phenyl]acetic acid
CID 103803780
2-hydroxy-3-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]benzoic acid
CID 114039518
(2R)-N-[2-(4-methylanilino)phenyl]-5-oxopyrrolidine-2-carboxamide
CID 166390943
(2R)-N-[2-(4-ethoxyphenoxy)phenyl]-5-oxopyrrolidine-2-carboxamide
CID 39971968
6-oxo-N-(2-phenylphenyl)diazinane-3-carboxamide
CID 78371672
3-[(5-oxopyrrolidine-2-carbonyl)amino]-3-phenylpropanoic acid
CID 24690464

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]phenyl]acetic acid?
The IUPAC name of 2-[2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]phenyl]acetic acid (CID 113265030) is 2-[2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]phenyl]acetic acid.
What is the SMILES notation for 2-[2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]phenyl]acetic acid?
The canonical SMILES for 2-[2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]phenyl]acetic acid is O=C(O)Cc1ccccc1NC(=O)[C@@H]1CCC(=O)N1.
What is the InChIKey of 2-[2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]phenyl]acetic acid?
The InChIKey is BYUQLUUZHXPALC-JTQLQIEISA-N. The full InChI is InChI=1S/C13H14N2O4/c16-11-6-5-10(14-11)13(19)15-9-4-2-1-3-8(9)7-12(17)18/h1-4,10H,5-7H2,(H,14,16)(H,15,19)(H,17,18)/t10-/m0/s1.
What are the key properties of 2-[2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]phenyl]acetic acid?
2-[2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]phenyl]acetic acid has a molecular weight of 262.26 g/mol, XLogP of 0.53, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]phenyl]acetic acid is sourced from PubChem (CID 113265030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).