2-chloro-5-[(3-methylcyclobutyl)amino]benzoic acid

C12H14ClNO2 — CID 103561486

IUPAC2-chloro-5-[(3-methylcyclobutyl)amino]benzoic acid
SMILESCC1CC(Nc2ccc(Cl)c(C(=O)O)c2)C1
InChIInChI=1S/C12H14ClNO2/c1-7-4-9(5-7)14-8-2-3-11(13)10(6-8)12(15)16/h2-3,6-7,9,14H,4-5H2,1H3,(H,15,16)
InChIKeyIWEBWLYICYCPJJ-UHFFFAOYSA-N
MW239.70 g/mol
LogP3.25
Rot. Bonds3

About 2-chloro-5-[(3-methylcyclobutyl)amino]benzoic acid

2-chloro-5-[(3-methylcyclobutyl)amino]benzoic acid (PubChem CID 103561486) has the molecular formula C12H14ClNO2 and a molecular weight of 239.70 g/mol. Its IUPAC name is 2-chloro-5-[(3-methylcyclobutyl)amino]benzoic acid.

Molecular Properties

Compound Name2-chloro-5-[(3-methylcyclobutyl)amino]benzoic acid
PubChem CID103561486
Molecular FormulaC12H14ClNO2
Molecular Weight239.70 g/mol
Exact Mass239.07
IUPAC Name2-chloro-5-[(3-methylcyclobutyl)amino]benzoic acid
SMILESCC1CC(Nc2ccc(Cl)c(C(=O)O)c2)C1
InChIInChI=1S/C12H14ClNO2/c1-7-4-9(5-7)14-8-2-3-11(13)10(6-8)12(15)16/h2-3,6-7,9,14H,4-5H2,1H3,(H,15,16)
InChIKeyIWEBWLYICYCPJJ-UHFFFAOYSA-N
XLogP3.25
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.70
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-chloro-5-[(3-methylcyclobutyl)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-5-[(3,5-dimethylcyclohexyl)amino]benzamide
CID 64751160
2-chloro-4-[(3-methylcyclopentyl)amino]benzoic acid
CID 114541224
2-chloro-5-(cyclohexylamino)benzoic acid
CID 43736277
2-chloro-5-[(1-ethylpiperidin-4-yl)amino]benzoic acid
CID 43736226
2-chloro-5-(thiolan-3-ylamino)benzoic acid
CID 43736227
5-[[(1R,2S)-2-carboxycyclopropanecarbonyl]amino]-2-chlorobenzoic acid
CID 93366698
2-chloro-5-(spiro[4.5]decan-8-ylamino)benzoic acid
CID 114817395
2-chloro-5-[(2,3-dimethylcyclohexyl)amino]benzoic acid
CID 64761654
methyl 2-chloro-5-[(3,3,5-trimethylcyclohexyl)amino]benzoate
CID 43672724
2-methyl-4-[(3-methylcyclopentyl)amino]benzoic acid
CID 114541219
2-chloro-4-[(4-methylcycloheptyl)amino]benzoic acid
CID 114101995
2-chloro-5-(1,4-dioxaspiro[4.5]decan-8-ylamino)benzoic acid
CID 43736297

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[(3-methylcyclobutyl)amino]benzoic acid?
The IUPAC name of 2-chloro-5-[(3-methylcyclobutyl)amino]benzoic acid (CID 103561486) is 2-chloro-5-[(3-methylcyclobutyl)amino]benzoic acid.
What is the SMILES notation for 2-chloro-5-[(3-methylcyclobutyl)amino]benzoic acid?
The canonical SMILES for 2-chloro-5-[(3-methylcyclobutyl)amino]benzoic acid is CC1CC(Nc2ccc(Cl)c(C(=O)O)c2)C1.
What is the InChIKey of 2-chloro-5-[(3-methylcyclobutyl)amino]benzoic acid?
The InChIKey is IWEBWLYICYCPJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO2/c1-7-4-9(5-7)14-8-2-3-11(13)10(6-8)12(15)16/h2-3,6-7,9,14H,4-5H2,1H3,(H,15,16).
What are the key properties of 2-chloro-5-[(3-methylcyclobutyl)amino]benzoic acid?
2-chloro-5-[(3-methylcyclobutyl)amino]benzoic acid has a molecular weight of 239.70 g/mol, XLogP of 3.25, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[(3-methylcyclobutyl)amino]benzoic acid is sourced from PubChem (CID 103561486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).