(2R)-2-[[2-methyl-3-(2-oxoimidazolidin-1-yl)benzoyl]amino]-2-phenylacetic acid

C19H19N3O4 — CID 119367620

IUPAC(2R)-2-[[2-methyl-3-(2-oxoimidazolidin-1-yl)benzoyl]amino]-2-phenylacetic acid
SMILESCc1c(C(=O)N[C@@H](C(=O)O)c2ccccc2)cccc1N1CCNC1=O
InChIInChI=1S/C19H19N3O4/c1-12-14(8-5-9-15(12)22-11-10-20-19(22)26)17(23)21-16(18(24)25)13-6-3-2-4-7-13/h2-9,16H,10-11H2,1H3,(H,20,26)(H,21,23)(H,24,25)/t16-/m1/s1
InChIKeyYGCDJFBQLMVECF-MRXNPFEDSA-N
MW353.38 g/mol
LogP2.08
Rot. Bonds5

About (2R)-2-[[2-methyl-3-(2-oxoimidazolidin-1-yl)benzoyl]amino]-2-phenylacetic acid

(2R)-2-[[2-methyl-3-(2-oxoimidazolidin-1-yl)benzoyl]amino]-2-phenylacetic acid (PubChem CID 119367620) has the molecular formula C19H19N3O4 and a molecular weight of 353.38 g/mol. Its IUPAC name is (2R)-2-[[2-methyl-3-(2-oxoimidazolidin-1-yl)benzoyl]amino]-2-phenylacetic acid.

Molecular Properties

Compound Name(2R)-2-[[2-methyl-3-(2-oxoimidazolidin-1-yl)benzoyl]amino]-2-phenylacetic acid
PubChem CID119367620
Molecular FormulaC19H19N3O4
Molecular Weight353.38 g/mol
Exact Mass353.14
IUPAC Name(2R)-2-[[2-methyl-3-(2-oxoimidazolidin-1-yl)benzoyl]amino]-2-phenylacetic acid
SMILESCc1c(C(=O)N[C@@H](C(=O)O)c2ccccc2)cccc1N1CCNC1=O
InChIInChI=1S/C19H19N3O4/c1-12-14(8-5-9-15(12)22-11-10-20-19(22)26)17(23)21-16(18(24)25)13-6-3-2-4-7-13/h2-9,16H,10-11H2,1H3,(H,20,26)(H,21,23)(H,24,25)/t16-/m1/s1
InChIKeyYGCDJFBQLMVECF-MRXNPFEDSA-N
XLogP2.08
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[[2-chloro-5-(2-oxoimidazolidin-1-yl)benzoyl]amino]-2-phenylacetic acid
CID 119372405
(2R)-2-[[2-chloro-5-(2-oxoimidazolidin-1-yl)benzoyl]amino]-2-phenylacetic acid
CID 119367709
(2S)-2-[(2,3-dimethylbenzoyl)amino]-2-phenylacetic acid
CID 30123282
2-[[carboxy(phenyl)methyl]carbamoyl]benzoic acid
CID 90451481
2-methyl-3-(2-oxoimidazolidin-1-yl)-N-(2,4,6-trimethyl-3-pyridinyl)benzamide
CID 75495810
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-2-methyl-3-(2-oxoimidazolidin-1-yl)benzamide
CID 120883484
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methyl-3-(2-oxoimidazolidin-1-yl)benzamide;hydrochloride
CID 120891040
N-[(1S,2S)-2-(aminomethyl)cyclohexyl]-2-methyl-3-(2-oxoimidazolidin-1-yl)benzamide
CID 124594018
2-oxo-2-[2-(2-oxoimidazolidin-1-yl)phenyl]acetic acid
CID 117339910
2-[2-methoxyethyl-[2-methyl-3-(2-oxoimidazolidin-1-yl)benzoyl]amino]acetic acid
CID 119348024
N,2-dimethyl-3-(2-oxoimidazolidin-1-yl)-N-pyrrolidin-3-ylbenzamide
CID 126795134
2-[(3-oxo-2-phenyl-1H-isoindole-4-carbonyl)amino]-2-phenylacetic acid
CID 4908239

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[2-methyl-3-(2-oxoimidazolidin-1-yl)benzoyl]amino]-2-phenylacetic acid?
The IUPAC name of (2R)-2-[[2-methyl-3-(2-oxoimidazolidin-1-yl)benzoyl]amino]-2-phenylacetic acid (CID 119367620) is (2R)-2-[[2-methyl-3-(2-oxoimidazolidin-1-yl)benzoyl]amino]-2-phenylacetic acid.
What is the SMILES notation for (2R)-2-[[2-methyl-3-(2-oxoimidazolidin-1-yl)benzoyl]amino]-2-phenylacetic acid?
The canonical SMILES for (2R)-2-[[2-methyl-3-(2-oxoimidazolidin-1-yl)benzoyl]amino]-2-phenylacetic acid is Cc1c(C(=O)N[C@@H](C(=O)O)c2ccccc2)cccc1N1CCNC1=O.
What is the InChIKey of (2R)-2-[[2-methyl-3-(2-oxoimidazolidin-1-yl)benzoyl]amino]-2-phenylacetic acid?
The InChIKey is YGCDJFBQLMVECF-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H19N3O4/c1-12-14(8-5-9-15(12)22-11-10-20-19(22)26)17(23)21-16(18(24)25)13-6-3-2-4-7-13/h2-9,16H,10-11H2,1H3,(H,20,26)(H,21,23)(H,24,25)/t16-/m1/s1.
What are the key properties of (2R)-2-[[2-methyl-3-(2-oxoimidazolidin-1-yl)benzoyl]amino]-2-phenylacetic acid?
(2R)-2-[[2-methyl-3-(2-oxoimidazolidin-1-yl)benzoyl]amino]-2-phenylacetic acid has a molecular weight of 353.38 g/mol, XLogP of 2.08, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[2-methyl-3-(2-oxoimidazolidin-1-yl)benzoyl]amino]-2-phenylacetic acid is sourced from PubChem (CID 119367620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).