methyl 3-[(3-aminocyclopentyl)amino]-4-chlorobenzoate

C13H17ClN2O2 — CID 79462743

IUPACmethyl 3-[(3-aminocyclopentyl)amino]-4-chlorobenzoate
SMILESCOC(=O)c1ccc(Cl)c(NC2CCC(N)C2)c1
InChIInChI=1S/C13H17ClN2O2/c1-18-13(17)8-2-5-11(14)12(6-8)16-10-4-3-9(15)7-10/h2,5-6,9-10,16H,3-4,7,15H2,1H3
InChIKeyWVJGBQSWUJRKPE-UHFFFAOYSA-N
MW268.74 g/mol
LogP2.42
Rot. Bonds3

About methyl 3-[(3-aminocyclopentyl)amino]-4-chlorobenzoate

methyl 3-[(3-aminocyclopentyl)amino]-4-chlorobenzoate (PubChem CID 79462743) has the molecular formula C13H17ClN2O2 and a molecular weight of 268.74 g/mol. Its IUPAC name is methyl 3-[(3-aminocyclopentyl)amino]-4-chlorobenzoate.

Molecular Properties

Compound Namemethyl 3-[(3-aminocyclopentyl)amino]-4-chlorobenzoate
PubChem CID79462743
Molecular FormulaC13H17ClN2O2
Molecular Weight268.74 g/mol
Exact Mass268.10
IUPAC Namemethyl 3-[(3-aminocyclopentyl)amino]-4-chlorobenzoate
SMILESCOC(=O)c1ccc(Cl)c(NC2CCC(N)C2)c1
InChIInChI=1S/C13H17ClN2O2/c1-18-13(17)8-2-5-11(14)12(6-8)16-10-4-3-9(15)7-10/h2,5-6,9-10,16H,3-4,7,15H2,1H3
InChIKeyWVJGBQSWUJRKPE-UHFFFAOYSA-N
XLogP2.42
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl 3-[(3-aminocyclopentyl)amino]-4-chlorobenzoate 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

methyl 3-[(3-aminocyclobutyl)amino]-4-chlorobenzoate
CID 80559754
2-(2-chloro-5-methoxycarbonylanilino)cyclopropane-1-carboxylic acid
CID 117027674
3-N-(5-bromo-2-chlorophenyl)cyclopentane-1,3-diamine
CID 79461483
methyl 4-chloro-3-(cyclopentylmethylamino)benzoate
CID 63442225
methyl 5-[(3-aminocyclopentyl)amino]-2,4-difluorobenzoate
CID 79461119
methyl 4-chloro-3-[[2-(cyclopropylamino)-2-oxoethyl]amino]benzoate
CID 108992903
methyl 2-[(3-aminocyclohexyl)amino]-4-chlorobenzoate
CID 79459028
methyl 4-chloro-3-[(2,3-dimethylcyclohexyl)amino]benzoate
CID 64761027
3-[(3-aminocyclopentyl)amino]-4-fluorobenzoic acid
CID 79461554
methyl 4-chloro-3-(1-cyclohexylethylamino)benzoate
CID 43784631
methyl 4-chloro-3-[[5-(cyclopropylamino)pyrazine-2-carbonyl]amino]benzoate
CID 109271897
methyl 4-amino-3-[(3-methylcyclohexyl)amino]benzoate
CID 82785054

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(3-aminocyclopentyl)amino]-4-chlorobenzoate?
The IUPAC name of methyl 3-[(3-aminocyclopentyl)amino]-4-chlorobenzoate (CID 79462743) is methyl 3-[(3-aminocyclopentyl)amino]-4-chlorobenzoate.
What is the SMILES notation for methyl 3-[(3-aminocyclopentyl)amino]-4-chlorobenzoate?
The canonical SMILES for methyl 3-[(3-aminocyclopentyl)amino]-4-chlorobenzoate is COC(=O)c1ccc(Cl)c(NC2CCC(N)C2)c1.
What is the InChIKey of methyl 3-[(3-aminocyclopentyl)amino]-4-chlorobenzoate?
The InChIKey is WVJGBQSWUJRKPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O2/c1-18-13(17)8-2-5-11(14)12(6-8)16-10-4-3-9(15)7-10/h2,5-6,9-10,16H,3-4,7,15H2,1H3.
What are the key properties of methyl 3-[(3-aminocyclopentyl)amino]-4-chlorobenzoate?
methyl 3-[(3-aminocyclopentyl)amino]-4-chlorobenzoate has a molecular weight of 268.74 g/mol, XLogP of 2.42, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(3-aminocyclopentyl)amino]-4-chlorobenzoate is sourced from PubChem (CID 79462743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).