(2S)-2-[[2-chloro-5-(2-oxoimidazolidin-1-yl)benzoyl]amino]-2-phenylacetic acid

C18H16ClN3O4 — CID 119372405

IUPAC(2S)-2-[[2-chloro-5-(2-oxoimidazolidin-1-yl)benzoyl]amino]-2-phenylacetic acid
SMILESO=C(N[C@H](C(=O)O)c1ccccc1)c1cc(N2CCNC2=O)ccc1Cl
InChIInChI=1S/C18H16ClN3O4/c19-14-7-6-12(22-9-8-20-18(22)26)10-13(14)16(23)21-15(17(24)25)11-4-2-1-3-5-11/h1-7,10,15H,8-9H2,(H,20,26)(H,21,23)(H,24,25)/t15-/m0/s1
InChIKeyYNOZYKXLRUJCHM-HNNXBMFYSA-N
MW373.80 g/mol
LogP2.43
Rot. Bonds5

About (2S)-2-[[2-chloro-5-(2-oxoimidazolidin-1-yl)benzoyl]amino]-2-phenylacetic acid

(2S)-2-[[2-chloro-5-(2-oxoimidazolidin-1-yl)benzoyl]amino]-2-phenylacetic acid (PubChem CID 119372405) has the molecular formula C18H16ClN3O4 and a molecular weight of 373.80 g/mol. Its IUPAC name is (2S)-2-[[2-chloro-5-(2-oxoimidazolidin-1-yl)benzoyl]amino]-2-phenylacetic acid.

Molecular Properties

Compound Name(2S)-2-[[2-chloro-5-(2-oxoimidazolidin-1-yl)benzoyl]amino]-2-phenylacetic acid
PubChem CID119372405
Molecular FormulaC18H16ClN3O4
Molecular Weight373.80 g/mol
Exact Mass373.08
IUPAC Name(2S)-2-[[2-chloro-5-(2-oxoimidazolidin-1-yl)benzoyl]amino]-2-phenylacetic acid
SMILESO=C(N[C@H](C(=O)O)c1ccccc1)c1cc(N2CCNC2=O)ccc1Cl
InChIInChI=1S/C18H16ClN3O4/c19-14-7-6-12(22-9-8-20-18(22)26)10-13(14)16(23)21-15(17(24)25)11-4-2-1-3-5-11/h1-7,10,15H,8-9H2,(H,20,26)(H,21,23)(H,24,25)/t15-/m0/s1
InChIKeyYNOZYKXLRUJCHM-HNNXBMFYSA-N
XLogP2.43
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.80
LogP ≤ 52.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2S)-2-[[2-chloro-5-(2-oxoimidazolidin-1-yl)benzoyl]amino]-2-phenylacetic acid with MolForge

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Related Compounds

(2R)-2-[[2-chloro-5-(2-oxoimidazolidin-1-yl)benzoyl]amino]-2-phenylacetic acid
CID 119367709
(2R)-2-[[2-chloro-5-(2-oxoimidazolidin-1-yl)benzoyl]amino]propanoic acid
CID 119244300
(2S)-2-[[2-chloro-5-(2-oxoimidazolidin-1-yl)benzoyl]amino]-3-methylbutanoic acid
CID 119359827
(2R)-2-[[2-methyl-3-(2-oxoimidazolidin-1-yl)benzoyl]amino]-2-phenylacetic acid
CID 119367620
3-[[2-chloro-5-(2-oxoimidazolidin-1-yl)benzoyl]amino]-3-thiophen-2-ylpropanoic acid
CID 119174361
2-[[[2-chloro-5-(2-oxoimidazolidin-1-yl)benzoyl]amino]methyl]-4-methylpentanoic acid
CID 119253358
2-chloro-N-[2-(methylamino)ethyl]-5-(2-oxoimidazolidin-1-yl)benzamide
CID 119504449
N-(3-amino-2-methylpropyl)-2-chloro-5-(2-oxoimidazolidin-1-yl)benzamide
CID 119998409
2-[1-[[2-chloro-5-(2-oxoimidazolidin-1-yl)benzoyl]amino]cyclobutyl]acetic acid
CID 119217782
2-chloro-N-[2-(ethylaminomethyl)phenyl]-5-(2-oxoimidazolidin-1-yl)benzamide;hydrochloride
CID 119440919
2-[(2-chloro-4-fluorobenzoyl)amino]-2-phenylacetic acid
CID 16771714
2-[(3-amino-4-chlorobenzoyl)amino]-2-phenylacetic acid
CID 61157313

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[2-chloro-5-(2-oxoimidazolidin-1-yl)benzoyl]amino]-2-phenylacetic acid?
The IUPAC name of (2S)-2-[[2-chloro-5-(2-oxoimidazolidin-1-yl)benzoyl]amino]-2-phenylacetic acid (CID 119372405) is (2S)-2-[[2-chloro-5-(2-oxoimidazolidin-1-yl)benzoyl]amino]-2-phenylacetic acid.
What is the SMILES notation for (2S)-2-[[2-chloro-5-(2-oxoimidazolidin-1-yl)benzoyl]amino]-2-phenylacetic acid?
The canonical SMILES for (2S)-2-[[2-chloro-5-(2-oxoimidazolidin-1-yl)benzoyl]amino]-2-phenylacetic acid is O=C(N[C@H](C(=O)O)c1ccccc1)c1cc(N2CCNC2=O)ccc1Cl.
What is the InChIKey of (2S)-2-[[2-chloro-5-(2-oxoimidazolidin-1-yl)benzoyl]amino]-2-phenylacetic acid?
The InChIKey is YNOZYKXLRUJCHM-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H16ClN3O4/c19-14-7-6-12(22-9-8-20-18(22)26)10-13(14)16(23)21-15(17(24)25)11-4-2-1-3-5-11/h1-7,10,15H,8-9H2,(H,20,26)(H,21,23)(H,24,25)/t15-/m0/s1.
What are the key properties of (2S)-2-[[2-chloro-5-(2-oxoimidazolidin-1-yl)benzoyl]amino]-2-phenylacetic acid?
(2S)-2-[[2-chloro-5-(2-oxoimidazolidin-1-yl)benzoyl]amino]-2-phenylacetic acid has a molecular weight of 373.80 g/mol, XLogP of 2.43, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[2-chloro-5-(2-oxoimidazolidin-1-yl)benzoyl]amino]-2-phenylacetic acid is sourced from PubChem (CID 119372405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).