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

C16H20ClN3O4 — CID 119204560

IUPAC4-[[4-chloro-3-(2-oxoimidazolidin-1-yl)benzoyl]amino]-4-methylpentanoic acid
SMILESCC(C)(CCC(=O)O)NC(=O)c1ccc(Cl)c(N2CCNC2=O)c1
InChIInChI=1S/C16H20ClN3O4/c1-16(2,6-5-13(21)22)19-14(23)10-3-4-11(17)12(9-10)20-8-7-18-15(20)24/h3-4,9H,5-8H2,1-2H3,(H,18,24)(H,19,23)(H,21,22)
InChIKeyOAUCBLZHURRBEK-UHFFFAOYSA-N
MW353.81 g/mol
LogP2.24
Rot. Bonds6

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

4-[[4-chloro-3-(2-oxoimidazolidin-1-yl)benzoyl]amino]-4-methylpentanoic acid (PubChem CID 119204560) has the molecular formula C16H20ClN3O4 and a molecular weight of 353.81 g/mol. Its IUPAC name is 4-[[4-chloro-3-(2-oxoimidazolidin-1-yl)benzoyl]amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name4-[[4-chloro-3-(2-oxoimidazolidin-1-yl)benzoyl]amino]-4-methylpentanoic acid
PubChem CID119204560
Molecular FormulaC16H20ClN3O4
Molecular Weight353.81 g/mol
Exact Mass353.11
IUPAC Name4-[[4-chloro-3-(2-oxoimidazolidin-1-yl)benzoyl]amino]-4-methylpentanoic acid
SMILESCC(C)(CCC(=O)O)NC(=O)c1ccc(Cl)c(N2CCNC2=O)c1
InChIInChI=1S/C16H20ClN3O4/c1-16(2,6-5-13(21)22)19-14(23)10-3-4-11(17)12(9-10)20-8-7-18-15(20)24/h3-4,9H,5-8H2,1-2H3,(H,18,24)(H,19,23)(H,21,22)
InChIKeyOAUCBLZHURRBEK-UHFFFAOYSA-N
XLogP2.24
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.81
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-[[4-chloro-3-(2-oxoimidazolidin-1-yl)benzoyl]amino]-4-methylpentanoic acid with MolForge

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Related Compounds

N-(1-amino-2-cyclopropylpropan-2-yl)-4-chloro-3-(2-oxoimidazolidin-1-yl)benzamide;hydrochloride
CID 119574562
N-(1-amino-2,4-dimethylpentan-2-yl)-4-chloro-3-(2-oxoimidazolidin-1-yl)benzamide
CID 119599252
4-[(4-chloro-3-methylbenzoyl)amino]-4-methylpentanoic acid
CID 112701096
2-[[4-chloro-3-(2-oxoimidazolidin-1-yl)benzoyl]amino]butanoic acid
CID 119224117
N-[(2S)-1-aminopropan-2-yl]-4-chloro-3-(2-oxoimidazolidin-1-yl)benzamide
CID 120505177
4-chloro-3-(2-oxoimidazolidin-1-yl)-N-piperidin-3-ylbenzamide
CID 119427326
2-[4-[[4-chloro-3-(2-oxoimidazolidin-1-yl)benzoyl]amino]pyrazol-1-yl]-2-methylpropanoic acid
CID 120696743
2-[[4-chloro-3-(2-oxoimidazolidin-1-yl)benzoyl]-cyclopropylamino]acetic acid
CID 119195439
4-[(4-amino-3,5-dichlorobenzoyl)amino]-4-methylpentanoic acid
CID 82832798
4-methyl-4-(naphthalene-2-carbonylamino)pentanoic acid
CID 62041314
4-methyl-4-[(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]pentanoic acid
CID 119204206
4-methyl-4-[(1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carbonyl)amino]pentanoic acid
CID 119203628

Frequently Asked Questions

What is the IUPAC name of 4-[[4-chloro-3-(2-oxoimidazolidin-1-yl)benzoyl]amino]-4-methylpentanoic acid?
The IUPAC name of 4-[[4-chloro-3-(2-oxoimidazolidin-1-yl)benzoyl]amino]-4-methylpentanoic acid (CID 119204560) is 4-[[4-chloro-3-(2-oxoimidazolidin-1-yl)benzoyl]amino]-4-methylpentanoic acid.
What is the SMILES notation for 4-[[4-chloro-3-(2-oxoimidazolidin-1-yl)benzoyl]amino]-4-methylpentanoic acid?
The canonical SMILES for 4-[[4-chloro-3-(2-oxoimidazolidin-1-yl)benzoyl]amino]-4-methylpentanoic acid is CC(C)(CCC(=O)O)NC(=O)c1ccc(Cl)c(N2CCNC2=O)c1.
What is the InChIKey of 4-[[4-chloro-3-(2-oxoimidazolidin-1-yl)benzoyl]amino]-4-methylpentanoic acid?
The InChIKey is OAUCBLZHURRBEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O4/c1-16(2,6-5-13(21)22)19-14(23)10-3-4-11(17)12(9-10)20-8-7-18-15(20)24/h3-4,9H,5-8H2,1-2H3,(H,18,24)(H,19,23)(H,21,22).
What are the key properties of 4-[[4-chloro-3-(2-oxoimidazolidin-1-yl)benzoyl]amino]-4-methylpentanoic acid?
4-[[4-chloro-3-(2-oxoimidazolidin-1-yl)benzoyl]amino]-4-methylpentanoic acid has a molecular weight of 353.81 g/mol, XLogP of 2.24, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-chloro-3-(2-oxoimidazolidin-1-yl)benzoyl]amino]-4-methylpentanoic acid is sourced from PubChem (CID 119204560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).