3-[[(2-methylcyclopentyl)amino]methyl]benzoic acid

C14H19NO2 — CID 103251324

IUPAC3-[[(2-methylcyclopentyl)amino]methyl]benzoic acid
SMILESCC1CCCC1NCc1cccc(C(=O)O)c1
InChIInChI=1S/C14H19NO2/c1-10-4-2-7-13(10)15-9-11-5-3-6-12(8-11)14(16)17/h3,5-6,8,10,13,15H,2,4,7,9H2,1H3,(H,16,17)
InChIKeyAXGMISDEYISXCX-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.66
Rot. Bonds4

About 3-[[(2-methylcyclopentyl)amino]methyl]benzoic acid

3-[[(2-methylcyclopentyl)amino]methyl]benzoic acid (PubChem CID 103251324) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 3-[[(2-methylcyclopentyl)amino]methyl]benzoic acid.

Molecular Properties

Compound Name3-[[(2-methylcyclopentyl)amino]methyl]benzoic acid
PubChem CID103251324
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name3-[[(2-methylcyclopentyl)amino]methyl]benzoic acid
SMILESCC1CCCC1NCc1cccc(C(=O)O)c1
InChIInChI=1S/C14H19NO2/c1-10-4-2-7-13(10)15-9-11-5-3-6-12(8-11)14(16)17/h3,5-6,8,10,13,15H,2,4,7,9H2,1H3,(H,16,17)
InChIKeyAXGMISDEYISXCX-UHFFFAOYSA-N
XLogP2.66
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-[[(2-methylcyclopentyl)amino]methyl]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

3-[[(2-methylcyclopentyl)amino]methyl]benzamide
CID 63277760
3-[[(2-ethylcyclopentyl)amino]methyl]benzoic acid
CID 122031906
3-[[[2-(hydroxymethyl)cyclopentyl]amino]methyl]benzoic acid
CID 106362458
3-[[(2-methoxycyclopentyl)amino]methyl]benzoic acid
CID 103248532
4-fluoro-3-[[(2-methylcyclopentyl)amino]methyl]benzoic acid
CID 107452900
3-[[(2,3-dimethylcyclohexyl)methylamino]methyl]benzoic acid
CID 122033784
N-[(3-bromophenyl)methyl]-2-methylcyclohexan-1-amine
CID 43178720
2-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]cyclohexan-1-amine
CID 43080931
3-[(spiro[5.5]undecan-3-ylamino)methyl]benzoic acid
CID 122033330
3-(chloromethyl)-N-(2-methylcyclohexyl)benzamide
CID 43333330
3-[(oxan-3-ylamino)methyl]benzoic acid
CID 103251620
3-[[(1-hydroxy-4-methylcyclohexyl)methylamino]methyl]benzoic acid
CID 103253182

Frequently Asked Questions

What is the IUPAC name of 3-[[(2-methylcyclopentyl)amino]methyl]benzoic acid?
The IUPAC name of 3-[[(2-methylcyclopentyl)amino]methyl]benzoic acid (CID 103251324) is 3-[[(2-methylcyclopentyl)amino]methyl]benzoic acid.
What is the SMILES notation for 3-[[(2-methylcyclopentyl)amino]methyl]benzoic acid?
The canonical SMILES for 3-[[(2-methylcyclopentyl)amino]methyl]benzoic acid is CC1CCCC1NCc1cccc(C(=O)O)c1.
What is the InChIKey of 3-[[(2-methylcyclopentyl)amino]methyl]benzoic acid?
The InChIKey is AXGMISDEYISXCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-10-4-2-7-13(10)15-9-11-5-3-6-12(8-11)14(16)17/h3,5-6,8,10,13,15H,2,4,7,9H2,1H3,(H,16,17).
What are the key properties of 3-[[(2-methylcyclopentyl)amino]methyl]benzoic acid?
3-[[(2-methylcyclopentyl)amino]methyl]benzoic acid has a molecular weight of 233.31 g/mol, XLogP of 2.66, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2-methylcyclopentyl)amino]methyl]benzoic acid is sourced from PubChem (CID 103251324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).