4-[(4-chloro-3-methylbenzoyl)amino]pentanoic acid

C13H16ClNO3 — CID 113397105

IUPAC4-[(4-chloro-3-methylbenzoyl)amino]pentanoic acid
SMILESCc1cc(C(=O)NC(C)CCC(=O)O)ccc1Cl
InChIInChI=1S/C13H16ClNO3/c1-8-7-10(4-5-11(8)14)13(18)15-9(2)3-6-12(16)17/h4-5,7,9H,3,6H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyYWOZHAIFWPUQQG-UHFFFAOYSA-N
MW269.73 g/mol
LogP2.63
Rot. Bonds5

About 4-[(4-chloro-3-methylbenzoyl)amino]pentanoic acid

4-[(4-chloro-3-methylbenzoyl)amino]pentanoic acid (PubChem CID 113397105) has the molecular formula C13H16ClNO3 and a molecular weight of 269.73 g/mol. Its IUPAC name is 4-[(4-chloro-3-methylbenzoyl)amino]pentanoic acid.

Molecular Properties

Compound Name4-[(4-chloro-3-methylbenzoyl)amino]pentanoic acid
PubChem CID113397105
Molecular FormulaC13H16ClNO3
Molecular Weight269.73 g/mol
Exact Mass269.08
IUPAC Name4-[(4-chloro-3-methylbenzoyl)amino]pentanoic acid
SMILESCc1cc(C(=O)NC(C)CCC(=O)O)ccc1Cl
InChIInChI=1S/C13H16ClNO3/c1-8-7-10(4-5-11(8)14)13(18)15-9(2)3-6-12(16)17/h4-5,7,9H,3,6H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyYWOZHAIFWPUQQG-UHFFFAOYSA-N
XLogP2.63
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.73
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2S)-1-aminopropan-2-yl]-4-chloro-3-methylbenzamide
CID 120508709
4-[(2-chloro-4,5-dimethylbenzoyl)amino]pentanoic acid
CID 120534855
4-[(2-chloropyridine-4-carbonyl)amino]pentanoic acid
CID 103932808
5-[(4-amino-3-methylbenzoyl)amino]hexanoic acid
CID 82846742
4-[(3-chloro-5-methylbenzoyl)amino]pentanoic acid
CID 81323373
N-[(2S)-5-amino-5-oxopentan-2-yl]-3,4-dichlorobenzamide;sulfane
CID 157235630
3-[(3,4-dimethylbenzoyl)amino]butanoic acid
CID 18370046
4-[[4-chloro-3-(thiophene-2-carbonylamino)benzoyl]amino]pentanoic acid
CID 102561133
4-[(4-chloro-3-methylbenzoyl)amino]-4-methylpentanoic acid
CID 112701096
3,4-dichloro-N-[(2S)-4-hydroxybutan-2-yl]benzamide
CID 97019669
3,4-dichloro-N-[(2S)-pentan-2-yl]benzamide
CID 879609
4-(8λ4-thia-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaene-3-carbonylamino)pentanoic acid
CID 120534820

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chloro-3-methylbenzoyl)amino]pentanoic acid?
The IUPAC name of 4-[(4-chloro-3-methylbenzoyl)amino]pentanoic acid (CID 113397105) is 4-[(4-chloro-3-methylbenzoyl)amino]pentanoic acid.
What is the SMILES notation for 4-[(4-chloro-3-methylbenzoyl)amino]pentanoic acid?
The canonical SMILES for 4-[(4-chloro-3-methylbenzoyl)amino]pentanoic acid is Cc1cc(C(=O)NC(C)CCC(=O)O)ccc1Cl.
What is the InChIKey of 4-[(4-chloro-3-methylbenzoyl)amino]pentanoic acid?
The InChIKey is YWOZHAIFWPUQQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO3/c1-8-7-10(4-5-11(8)14)13(18)15-9(2)3-6-12(16)17/h4-5,7,9H,3,6H2,1-2H3,(H,15,18)(H,16,17).
What are the key properties of 4-[(4-chloro-3-methylbenzoyl)amino]pentanoic acid?
4-[(4-chloro-3-methylbenzoyl)amino]pentanoic acid has a molecular weight of 269.73 g/mol, XLogP of 2.63, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chloro-3-methylbenzoyl)amino]pentanoic acid is sourced from PubChem (CID 113397105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).