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

C15H21NO2 — CID 122031906

IUPAC3-[[(2-ethylcyclopentyl)amino]methyl]benzoic acid
SMILESCCC1CCCC1NCc1cccc(C(=O)O)c1
InChIInChI=1S/C15H21NO2/c1-2-12-6-4-8-14(12)16-10-11-5-3-7-13(9-11)15(17)18/h3,5,7,9,12,14,16H,2,4,6,8,10H2,1H3,(H,17,18)
InChIKeyAJUDFRQGZSAUBP-UHFFFAOYSA-N
MW247.34 g/mol
LogP3.05
Rot. Bonds5

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

3-[[(2-ethylcyclopentyl)amino]methyl]benzoic acid (PubChem CID 122031906) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 3-[[(2-ethylcyclopentyl)amino]methyl]benzoic acid.

Molecular Properties

Compound Name3-[[(2-ethylcyclopentyl)amino]methyl]benzoic acid
PubChem CID122031906
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name3-[[(2-ethylcyclopentyl)amino]methyl]benzoic acid
SMILESCCC1CCCC1NCc1cccc(C(=O)O)c1
InChIInChI=1S/C15H21NO2/c1-2-12-6-4-8-14(12)16-10-11-5-3-7-13(9-11)15(17)18/h3,5,7,9,12,14,16H,2,4,6,8,10H2,1H3,(H,17,18)
InChIKeyAJUDFRQGZSAUBP-UHFFFAOYSA-N
XLogP3.05
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-[[(2-ethylcyclopentyl)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-(hydroxymethyl)cyclopentyl]amino]methyl]benzoic acid
CID 106362458
3-[[(2-methylcyclopentyl)amino]methyl]benzoic acid
CID 103251324
3-[[(2-methoxycyclopentyl)amino]methyl]benzoic acid
CID 103248532
N-benzyl-2-ethylcyclohexan-1-amine
CID 43434056
2-ethyl-N-[(3-methoxyphenyl)methyl]cyclopentan-1-amine
CID 115691352
2-ethyl-N-[[3-(trifluoromethyl)phenyl]methyl]cyclohexan-1-amine
CID 43434076
3-[[(2-methylcyclopentyl)amino]methyl]benzamide
CID 63277760
3-[[(2,3-dimethylcyclohexyl)methylamino]methyl]benzoic acid
CID 122033784
N-[(3,4-dimethoxyphenyl)methyl]-2-ethylcyclopentan-1-amine
CID 115691314
3-[(spiro[5.5]undecan-3-ylamino)methyl]benzoic acid
CID 122033330
5-[[(2-ethylcyclohexyl)amino]methyl]-1,2-oxazole-3-carboxylic acid
CID 103246776
3-[(oxan-3-ylamino)methyl]benzoic acid
CID 103251620

Frequently Asked Questions

What is the IUPAC name of 3-[[(2-ethylcyclopentyl)amino]methyl]benzoic acid?
The IUPAC name of 3-[[(2-ethylcyclopentyl)amino]methyl]benzoic acid (CID 122031906) is 3-[[(2-ethylcyclopentyl)amino]methyl]benzoic acid.
What is the SMILES notation for 3-[[(2-ethylcyclopentyl)amino]methyl]benzoic acid?
The canonical SMILES for 3-[[(2-ethylcyclopentyl)amino]methyl]benzoic acid is CCC1CCCC1NCc1cccc(C(=O)O)c1.
What is the InChIKey of 3-[[(2-ethylcyclopentyl)amino]methyl]benzoic acid?
The InChIKey is AJUDFRQGZSAUBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-2-12-6-4-8-14(12)16-10-11-5-3-7-13(9-11)15(17)18/h3,5,7,9,12,14,16H,2,4,6,8,10H2,1H3,(H,17,18).
What are the key properties of 3-[[(2-ethylcyclopentyl)amino]methyl]benzoic acid?
3-[[(2-ethylcyclopentyl)amino]methyl]benzoic acid has a molecular weight of 247.34 g/mol, XLogP of 3.05, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2-ethylcyclopentyl)amino]methyl]benzoic acid is sourced from PubChem (CID 122031906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).