2-chloro-4-[(3-methoxycyclopentyl)amino]benzoic acid

C13H16ClNO3 — CID 114118376

IUPAC2-chloro-4-[(3-methoxycyclopentyl)amino]benzoic acid
SMILESCOC1CCC(Nc2ccc(C(=O)O)c(Cl)c2)C1
InChIInChI=1S/C13H16ClNO3/c1-18-10-4-2-8(6-10)15-9-3-5-11(13(16)17)12(14)7-9/h3,5,7-8,10,15H,2,4,6H2,1H3,(H,16,17)
InChIKeyBJUDHHVAXDGFKN-UHFFFAOYSA-N
MW269.73 g/mol
LogP3.02
Rot. Bonds4

About 2-chloro-4-[(3-methoxycyclopentyl)amino]benzoic acid

2-chloro-4-[(3-methoxycyclopentyl)amino]benzoic acid (PubChem CID 114118376) has the molecular formula C13H16ClNO3 and a molecular weight of 269.73 g/mol. Its IUPAC name is 2-chloro-4-[(3-methoxycyclopentyl)amino]benzoic acid.

Molecular Properties

Compound Name2-chloro-4-[(3-methoxycyclopentyl)amino]benzoic acid
PubChem CID114118376
Molecular FormulaC13H16ClNO3
Molecular Weight269.73 g/mol
Exact Mass269.08
IUPAC Name2-chloro-4-[(3-methoxycyclopentyl)amino]benzoic acid
SMILESCOC1CCC(Nc2ccc(C(=O)O)c(Cl)c2)C1
InChIInChI=1S/C13H16ClNO3/c1-18-10-4-2-8(6-10)15-9-3-5-11(13(16)17)12(14)7-9/h3,5,7-8,10,15H,2,4,6H2,1H3,(H,16,17)
InChIKeyBJUDHHVAXDGFKN-UHFFFAOYSA-N
XLogP3.02
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.73
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-chloro-4-[(3-methoxycyclopentyl)amino]benzoic 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-chloro-4-[(3-methylcyclopentyl)amino]benzoic acid
CID 114541224
2-chloro-4-[(4-methylcycloheptyl)amino]benzoic acid
CID 114101995
1-(4-acetyl-3-chlorophenyl)-3-[(1S,3R)-3-methoxycyclopentyl]urea
CID 99829008
1-(4-acetyl-3-chlorophenyl)-3-[(1R,3R)-3-methoxycyclopentyl]urea
CID 99829007
2-chloro-4-(oxolan-3-ylamino)benzoic acid
CID 80715849
2-chloro-4-[[4-(methylamino)cyclohexyl]amino]benzamide
CID 79111094
2-chloro-4-[(3-methoxyazetidin-1-yl)sulfonylamino]benzoic acid
CID 166208292
2-chloro-5-(cyclohexylamino)benzoic acid
CID 43736277
4-[(3,4-dimethylcyclohexyl)amino]-2-fluorobenzoic acid
CID 115485504
9-(3-chloro-4-methoxycarbonylanilino)-3-azaspiro[5.5]undecane-3-carboxylic acid
CID 154017773
2-chloro-4-[(3-methylcyclopentyl)carbamoylamino]benzoic acid
CID 114548831
2-chloro-4-[(3-ethylcyclopentyl)amino]benzamide
CID 64501725

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[(3-methoxycyclopentyl)amino]benzoic acid?
The IUPAC name of 2-chloro-4-[(3-methoxycyclopentyl)amino]benzoic acid (CID 114118376) is 2-chloro-4-[(3-methoxycyclopentyl)amino]benzoic acid.
What is the SMILES notation for 2-chloro-4-[(3-methoxycyclopentyl)amino]benzoic acid?
The canonical SMILES for 2-chloro-4-[(3-methoxycyclopentyl)amino]benzoic acid is COC1CCC(Nc2ccc(C(=O)O)c(Cl)c2)C1.
What is the InChIKey of 2-chloro-4-[(3-methoxycyclopentyl)amino]benzoic acid?
The InChIKey is BJUDHHVAXDGFKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO3/c1-18-10-4-2-8(6-10)15-9-3-5-11(13(16)17)12(14)7-9/h3,5,7-8,10,15H,2,4,6H2,1H3,(H,16,17).
What are the key properties of 2-chloro-4-[(3-methoxycyclopentyl)amino]benzoic acid?
2-chloro-4-[(3-methoxycyclopentyl)amino]benzoic acid has a molecular weight of 269.73 g/mol, XLogP of 3.02, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[(3-methoxycyclopentyl)amino]benzoic acid is sourced from PubChem (CID 114118376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).