2-[(2-oxo-4H-imidazole-3-carbonyl)amino]-2-phenylacetic acid

C12H11N3O4 — CID 21444695

IUPAC2-[(2-oxo-4H-imidazole-3-carbonyl)amino]-2-phenylacetic acid
SMILESO=C(O)C(NC(=O)N1CC=NC1=O)c1ccccc1
InChIInChI=1S/C12H11N3O4/c16-10(17)9(8-4-2-1-3-5-8)14-12(19)15-7-6-13-11(15)18/h1-6,9H,7H2,(H,14,19)(H,16,17)
InChIKeyWEPPPUDZYZQJJC-UHFFFAOYSA-N
MW261.24 g/mol
LogP1.03
Rot. Bonds3

About 2-[(2-oxo-4H-imidazole-3-carbonyl)amino]-2-phenylacetic acid

2-[(2-oxo-4H-imidazole-3-carbonyl)amino]-2-phenylacetic acid (PubChem CID 21444695) has the molecular formula C12H11N3O4 and a molecular weight of 261.24 g/mol. Its IUPAC name is 2-[(2-oxo-4H-imidazole-3-carbonyl)amino]-2-phenylacetic acid.

Molecular Properties

Compound Name2-[(2-oxo-4H-imidazole-3-carbonyl)amino]-2-phenylacetic acid
PubChem CID21444695
Molecular FormulaC12H11N3O4
Molecular Weight261.24 g/mol
Exact Mass261.07
IUPAC Name2-[(2-oxo-4H-imidazole-3-carbonyl)amino]-2-phenylacetic acid
SMILESO=C(O)C(NC(=O)N1CC=NC1=O)c1ccccc1
InChIInChI=1S/C12H11N3O4/c16-10(17)9(8-4-2-1-3-5-8)14-12(19)15-7-6-13-11(15)18/h1-6,9H,7H2,(H,14,19)(H,16,17)
InChIKeyWEPPPUDZYZQJJC-UHFFFAOYSA-N
XLogP1.03
TPSA99.07 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.24
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-oxo-3-(piperidine-1-carbonyl)imidazolidine-1-carbonyl]amino]-2-phenylacetic acid
CID 21453115
2-[(2-oxo-3-propanoylimidazolidine-1-carbonyl)amino]-2-phenylacetic acid
CID 21453173
(2R)-2-[(3,4-dimethylpyrrolidine-1-carbonyl)amino]-2-phenylacetic acid
CID 79181328
(2S)-2-[(2,6-dimethylthiomorpholine-4-carbonyl)amino]-2-phenylacetic acid
CID 104899061
(2R)-2-[[4-(benzylideneamino)-2,3-dioxopiperazine-1-carbonyl]amino]-2-phenylacetic acid
CID 54235959
2-[(3-acetyl-5-methyl-2-oxoimidazolidine-1-carbonyl)amino]-2-phenylacetic acid
CID 21453201
2-[(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]-2-phenylacetic acid
CID 114412005
2-[[3-(4-methylphenyl)sulfonyl-2-oxoimidazolidine-1-carbonyl]amino]-2-phenylacetic acid
CID 21453212
2-[(4-hexyl-2-oxopiperazine-1-carbonyl)amino]-2-phenylacetic acid
CID 70620389
2-[(4-methyl-2-oxo-3-propan-2-yloxycarbonylimidazolidine-1-carbonyl)amino]-2-phenylacetic acid
CID 21453081
(2S)-2-phenyl-2-(1,4-thiazepane-4-carbonylamino)acetic acid
CID 104898970
(2S)-2-[(3-oxo-1,4-diazepane-1-carbonyl)amino]-2-phenylacetic acid
CID 104899074

Frequently Asked Questions

What is the IUPAC name of 2-[(2-oxo-4H-imidazole-3-carbonyl)amino]-2-phenylacetic acid?
The IUPAC name of 2-[(2-oxo-4H-imidazole-3-carbonyl)amino]-2-phenylacetic acid (CID 21444695) is 2-[(2-oxo-4H-imidazole-3-carbonyl)amino]-2-phenylacetic acid.
What is the SMILES notation for 2-[(2-oxo-4H-imidazole-3-carbonyl)amino]-2-phenylacetic acid?
The canonical SMILES for 2-[(2-oxo-4H-imidazole-3-carbonyl)amino]-2-phenylacetic acid is O=C(O)C(NC(=O)N1CC=NC1=O)c1ccccc1.
What is the InChIKey of 2-[(2-oxo-4H-imidazole-3-carbonyl)amino]-2-phenylacetic acid?
The InChIKey is WEPPPUDZYZQJJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O4/c16-10(17)9(8-4-2-1-3-5-8)14-12(19)15-7-6-13-11(15)18/h1-6,9H,7H2,(H,14,19)(H,16,17).
What are the key properties of 2-[(2-oxo-4H-imidazole-3-carbonyl)amino]-2-phenylacetic acid?
2-[(2-oxo-4H-imidazole-3-carbonyl)amino]-2-phenylacetic acid has a molecular weight of 261.24 g/mol, XLogP of 1.03, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-oxo-4H-imidazole-3-carbonyl)amino]-2-phenylacetic acid is sourced from PubChem (CID 21444695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).