2-[[4-chloro-3-(2-oxoimidazolidin-1-yl)benzoyl]amino]butanoic acid

C14H16ClN3O4 — CID 119224117

IUPAC2-[[4-chloro-3-(2-oxoimidazolidin-1-yl)benzoyl]amino]butanoic acid
SMILESCCC(NC(=O)c1ccc(Cl)c(N2CCNC2=O)c1)C(=O)O
InChIInChI=1S/C14H16ClN3O4/c1-2-10(13(20)21)17-12(19)8-3-4-9(15)11(7-8)18-6-5-16-14(18)22/h3-4,7,10H,2,5-6H2,1H3,(H,16,22)(H,17,19)(H,20,21)
InChIKeyHDYOXYWHHXBJCO-UHFFFAOYSA-N
MW325.75 g/mol
LogP1.46
Rot. Bonds5

About 2-[[4-chloro-3-(2-oxoimidazolidin-1-yl)benzoyl]amino]butanoic acid

2-[[4-chloro-3-(2-oxoimidazolidin-1-yl)benzoyl]amino]butanoic acid (PubChem CID 119224117) has the molecular formula C14H16ClN3O4 and a molecular weight of 325.75 g/mol. Its IUPAC name is 2-[[4-chloro-3-(2-oxoimidazolidin-1-yl)benzoyl]amino]butanoic acid.

Molecular Properties

Compound Name2-[[4-chloro-3-(2-oxoimidazolidin-1-yl)benzoyl]amino]butanoic acid
PubChem CID119224117
Molecular FormulaC14H16ClN3O4
Molecular Weight325.75 g/mol
Exact Mass325.08
IUPAC Name2-[[4-chloro-3-(2-oxoimidazolidin-1-yl)benzoyl]amino]butanoic acid
SMILESCCC(NC(=O)c1ccc(Cl)c(N2CCNC2=O)c1)C(=O)O
InChIInChI=1S/C14H16ClN3O4/c1-2-10(13(20)21)17-12(19)8-3-4-9(15)11(7-8)18-6-5-16-14(18)22/h3-4,7,10H,2,5-6H2,1H3,(H,16,22)(H,17,19)(H,20,21)
InChIKeyHDYOXYWHHXBJCO-UHFFFAOYSA-N
XLogP1.46
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.75
LogP ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-1-aminopropan-2-yl]-4-chloro-3-(2-oxoimidazolidin-1-yl)benzamide
CID 120505177
N-(2-amino-1-cyclopropylethyl)-4-chloro-3-(2-oxoimidazolidin-1-yl)benzamide;hydrochloride
CID 119615884
(2R)-2-[[4-methoxy-3-(2-oxoimidazolidin-1-yl)benzoyl]amino]-4-methylpentanoic acid
CID 119363730
4-[[4-chloro-3-(2-oxoimidazolidin-1-yl)benzoyl]amino]-4-methylpentanoic acid
CID 119204560
2-[[4-chloro-3-(2-oxoimidazolidin-1-yl)benzoyl]amino]-2-(oxan-3-yl)acetic acid
CID 120547529
N-(1-amino-2,4-dimethylpentan-2-yl)-4-chloro-3-(2-oxoimidazolidin-1-yl)benzamide
CID 119599252
(2S)-4-methyl-2-[[4-(2-oxoimidazolidin-1-yl)benzoyl]amino]pentanoic acid
CID 119362177
N-(1-amino-2-cyclopropylpropan-2-yl)-4-chloro-3-(2-oxoimidazolidin-1-yl)benzamide;hydrochloride
CID 119574562
4-chloro-3-(2-oxoimidazolidin-1-yl)-N-piperidin-3-ylbenzamide
CID 119427326
N-(5-bromo-3-chloro-2-hydroxyphenyl)-4-chloro-3-(2-oxoimidazolidin-1-yl)benzamide
CID 71906365
2-[[4-chloro-3-(2-oxoimidazolidin-1-yl)benzoyl]-cyclopropylamino]acetic acid
CID 119195439
(3S,4S)-1-[4-chloro-3-(2-oxoimidazolidin-1-yl)benzoyl]-4-methylpyrrolidine-3-carboxylic acid
CID 120953519

Frequently Asked Questions

What is the IUPAC name of 2-[[4-chloro-3-(2-oxoimidazolidin-1-yl)benzoyl]amino]butanoic acid?
The IUPAC name of 2-[[4-chloro-3-(2-oxoimidazolidin-1-yl)benzoyl]amino]butanoic acid (CID 119224117) is 2-[[4-chloro-3-(2-oxoimidazolidin-1-yl)benzoyl]amino]butanoic acid.
What is the SMILES notation for 2-[[4-chloro-3-(2-oxoimidazolidin-1-yl)benzoyl]amino]butanoic acid?
The canonical SMILES for 2-[[4-chloro-3-(2-oxoimidazolidin-1-yl)benzoyl]amino]butanoic acid is CCC(NC(=O)c1ccc(Cl)c(N2CCNC2=O)c1)C(=O)O.
What is the InChIKey of 2-[[4-chloro-3-(2-oxoimidazolidin-1-yl)benzoyl]amino]butanoic acid?
The InChIKey is HDYOXYWHHXBJCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O4/c1-2-10(13(20)21)17-12(19)8-3-4-9(15)11(7-8)18-6-5-16-14(18)22/h3-4,7,10H,2,5-6H2,1H3,(H,16,22)(H,17,19)(H,20,21).
What are the key properties of 2-[[4-chloro-3-(2-oxoimidazolidin-1-yl)benzoyl]amino]butanoic acid?
2-[[4-chloro-3-(2-oxoimidazolidin-1-yl)benzoyl]amino]butanoic acid has a molecular weight of 325.75 g/mol, XLogP of 1.46, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-chloro-3-(2-oxoimidazolidin-1-yl)benzoyl]amino]butanoic acid is sourced from PubChem (CID 119224117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).