2-(2-carboxypentylamino)-4-chlorobenzoic acid

C13H16ClNO4 — CID 21251990

IUPAC2-(2-carboxypentylamino)-4-chlorobenzoic acid
SMILESCCCC(CNc1cc(Cl)ccc1C(=O)O)C(=O)O
InChIInChI=1S/C13H16ClNO4/c1-2-3-8(12(16)17)7-15-11-6-9(14)4-5-10(11)13(18)19/h4-6,8,15H,2-3,7H2,1H3,(H,16,17)(H,18,19)
InChIKeyVTKJNLHWGVXTIJ-UHFFFAOYSA-N
MW285.73 g/mol
LogP2.95
Rot. Bonds7

About 2-(2-carboxypentylamino)-4-chlorobenzoic acid

2-(2-carboxypentylamino)-4-chlorobenzoic acid (PubChem CID 21251990) has the molecular formula C13H16ClNO4 and a molecular weight of 285.73 g/mol. Its IUPAC name is 2-(2-carboxypentylamino)-4-chlorobenzoic acid.

Molecular Properties

Compound Name2-(2-carboxypentylamino)-4-chlorobenzoic acid
PubChem CID21251990
Molecular FormulaC13H16ClNO4
Molecular Weight285.73 g/mol
Exact Mass285.08
IUPAC Name2-(2-carboxypentylamino)-4-chlorobenzoic acid
SMILESCCCC(CNc1cc(Cl)ccc1C(=O)O)C(=O)O
InChIInChI=1S/C13H16ClNO4/c1-2-3-8(12(16)17)7-15-11-6-9(14)4-5-10(11)13(18)19/h4-6,8,15H,2-3,7H2,1H3,(H,16,17)(H,18,19)
InChIKeyVTKJNLHWGVXTIJ-UHFFFAOYSA-N
XLogP2.95
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.73
LogP ≤ 52.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-(2-carboxypentylamino)-4-chlorobenzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[(7-chloroquinolin-4-yl)amino]methyl]pentanoic acid
CID 65224478
4-chloro-2-(3-methylbutylamino)benzoic acid
CID 63510016
2-[[(2,5-dichlorophenyl)carbamoylamino]methyl]pentanoic acid
CID 65219353
4-chloro-2-(2,3-dimethoxypropylamino)benzoic acid
CID 114102004
4-chloro-2-(5-methylhexylamino)benzoic acid
CID 113287884
4-chloro-2-[(4-ethylphenyl)methylamino]benzoic acid
CID 106900803
4-chloro-2-[3-(dimethylamino)propylamino]benzoic acid
CID 63081984
2-[[(5-chloro-2-cyanophenyl)carbamoylamino]methyl]pentanoic acid
CID 65224625
sodium 2-(2-carboxy-5-chloroanilino)acetate
CID 66684909
2-[[[2-(4-chlorophenyl)acetyl]amino]methyl]pentanoic acid
CID 65218537
4-chloro-2-(2-methylbutylcarbamoylamino)benzoic acid
CID 62692918
4-chloro-2-[2-(methanesulfonamido)ethylamino]benzoic acid
CID 55180982

Frequently Asked Questions

What is the IUPAC name of 2-(2-carboxypentylamino)-4-chlorobenzoic acid?
The IUPAC name of 2-(2-carboxypentylamino)-4-chlorobenzoic acid (CID 21251990) is 2-(2-carboxypentylamino)-4-chlorobenzoic acid.
What is the SMILES notation for 2-(2-carboxypentylamino)-4-chlorobenzoic acid?
The canonical SMILES for 2-(2-carboxypentylamino)-4-chlorobenzoic acid is CCCC(CNc1cc(Cl)ccc1C(=O)O)C(=O)O.
What is the InChIKey of 2-(2-carboxypentylamino)-4-chlorobenzoic acid?
The InChIKey is VTKJNLHWGVXTIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO4/c1-2-3-8(12(16)17)7-15-11-6-9(14)4-5-10(11)13(18)19/h4-6,8,15H,2-3,7H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 2-(2-carboxypentylamino)-4-chlorobenzoic acid?
2-(2-carboxypentylamino)-4-chlorobenzoic acid has a molecular weight of 285.73 g/mol, XLogP of 2.95, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-carboxypentylamino)-4-chlorobenzoic acid is sourced from PubChem (CID 21251990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).