2-[4-[(5-oxopyrrolidine-2-carbonyl)amino]phenyl]acetic acid

C13H14N2O4 — CID 24710537

IUPAC2-[4-[(5-oxopyrrolidine-2-carbonyl)amino]phenyl]acetic acid
SMILESO=C(O)Cc1ccc(NC(=O)C2CCC(=O)N2)cc1
InChIInChI=1S/C13H14N2O4/c16-11-6-5-10(15-11)13(19)14-9-3-1-8(2-4-9)7-12(17)18/h1-4,10H,5-7H2,(H,14,19)(H,15,16)(H,17,18)
InChIKeyGNMHFKYGSPGZDD-UHFFFAOYSA-N
MW262.26 g/mol
LogP0.53
Rot. Bonds4

About 2-[4-[(5-oxopyrrolidine-2-carbonyl)amino]phenyl]acetic acid

2-[4-[(5-oxopyrrolidine-2-carbonyl)amino]phenyl]acetic acid (PubChem CID 24710537) has the molecular formula C13H14N2O4 and a molecular weight of 262.26 g/mol. Its IUPAC name is 2-[4-[(5-oxopyrrolidine-2-carbonyl)amino]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[(5-oxopyrrolidine-2-carbonyl)amino]phenyl]acetic acid
PubChem CID24710537
Molecular FormulaC13H14N2O4
Molecular Weight262.26 g/mol
Exact Mass262.10
IUPAC Name2-[4-[(5-oxopyrrolidine-2-carbonyl)amino]phenyl]acetic acid
SMILESO=C(O)Cc1ccc(NC(=O)C2CCC(=O)N2)cc1
InChIInChI=1S/C13H14N2O4/c16-11-6-5-10(15-11)13(19)14-9-3-1-8(2-4-9)7-12(17)18/h1-4,10H,5-7H2,(H,14,19)(H,15,16)(H,17,18)
InChIKeyGNMHFKYGSPGZDD-UHFFFAOYSA-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

2-[3-[[(2R)-5-oxopyrrolidine-2-carbonyl]amino]phenyl]acetic acid
CID 103803780
2-[2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]phenyl]acetic acid
CID 113265030
(2R)-N-[4-[[(2S)-2-methylpiperidin-1-yl]methyl]phenyl]-5-oxopyrrolidine-2-carboxamide
CID 98784893
N-(3,4-difluorophenyl)-5-oxopyrrolidine-2-carboxamide
CID 110689759
(2S)-5-oxo-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)pyrrolidine-2-carboxamide
CID 103806993
(2S)-N-[3-(aminomethyl)phenyl]-5-oxopyrrolidine-2-carboxamide
CID 95038599
N-(3-chloro-4-hydroxyphenyl)-5-oxopyrrolidine-2-carboxamide
CID 64787520
5-oxo-N-[4-(2-oxoimidazolidin-1-yl)phenyl]pyrrolidine-2-carboxamide
CID 60707111
(2S)-N-(3,5-dichlorophenyl)-5-oxopyrrolidine-2-carboxamide
CID 26469933
N-(3-aminophenyl)-5-oxopyrrolidine-2-carboxamide
CID 110482254
N-(4-bromo-3-chlorophenyl)-5-oxopyrrolidine-2-carboxamide
CID 103824877
(2S)-N-(3-bromo-4-chlorophenyl)-5-oxopyrrolidine-2-carboxamide
CID 675422

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(5-oxopyrrolidine-2-carbonyl)amino]phenyl]acetic acid?
The IUPAC name of 2-[4-[(5-oxopyrrolidine-2-carbonyl)amino]phenyl]acetic acid (CID 24710537) is 2-[4-[(5-oxopyrrolidine-2-carbonyl)amino]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[(5-oxopyrrolidine-2-carbonyl)amino]phenyl]acetic acid?
The canonical SMILES for 2-[4-[(5-oxopyrrolidine-2-carbonyl)amino]phenyl]acetic acid is O=C(O)Cc1ccc(NC(=O)C2CCC(=O)N2)cc1.
What is the InChIKey of 2-[4-[(5-oxopyrrolidine-2-carbonyl)amino]phenyl]acetic acid?
The InChIKey is GNMHFKYGSPGZDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4/c16-11-6-5-10(15-11)13(19)14-9-3-1-8(2-4-9)7-12(17)18/h1-4,10H,5-7H2,(H,14,19)(H,15,16)(H,17,18).
What are the key properties of 2-[4-[(5-oxopyrrolidine-2-carbonyl)amino]phenyl]acetic acid?
2-[4-[(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-[4-[(5-oxopyrrolidine-2-carbonyl)amino]phenyl]acetic acid is sourced from PubChem (CID 24710537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).