2-(4-aminocycloheptyl)benzoic acid

C14H19NO2 — CID 115039628

IUPAC2-(4-aminocycloheptyl)benzoic acid
SMILESNC1CCCC(c2ccccc2C(=O)O)CC1
InChIInChI=1S/C14H19NO2/c15-11-5-3-4-10(8-9-11)12-6-1-2-7-13(12)14(16)17/h1-2,6-7,10-11H,3-5,8-9,15H2,(H,16,17)
InChIKeyXYQKNQPXNODUCH-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.76
Rot. Bonds2

About 2-(4-aminocycloheptyl)benzoic acid

2-(4-aminocycloheptyl)benzoic acid (PubChem CID 115039628) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-(4-aminocycloheptyl)benzoic acid.

Molecular Properties

Compound Name2-(4-aminocycloheptyl)benzoic acid
PubChem CID115039628
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name2-(4-aminocycloheptyl)benzoic acid
SMILESNC1CCCC(c2ccccc2C(=O)O)CC1
InChIInChI=1S/C14H19NO2/c15-11-5-3-4-10(8-9-11)12-6-1-2-7-13(12)14(16)17/h1-2,6-7,10-11H,3-5,8-9,15H2,(H,16,17)
InChIKeyXYQKNQPXNODUCH-UHFFFAOYSA-N
XLogP2.76
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(4-aminocycloheptyl)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-(1-hydroxypiperidin-4-yl)benzoic acid
CID 19784857
2-(3-bromocyclopentyl)benzoic acid
CID 151009009
3-cyclopentylphthalic acid;phthalic acid
CID 70581040
(2-cyclobutylphenyl)-pyrimidin-2-ylmethanone
CID 114601750
2-(dioxolan-4-yl)benzoic acid
CID 87618299
(2-cyclopentylbenzoyl)oxycarbonyl 2-cyclopentylbenzoate
CID 88809968
2-cyclopentylbenzohydrazide
CID 68852694
(2-cyclohexylphenyl)-phenylmethanone
CID 22506424
1-(2-cyclobutylphenyl)-2,2-dimethylpropan-1-one
CID 114601747
ethyl 2-cyclobutylbenzoate
CID 106942755
2-cyclopropylbenzoyl chloride
CID 118024624
2-cyclopropylbenzohydrazide
CID 168909064

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminocycloheptyl)benzoic acid?
The IUPAC name of 2-(4-aminocycloheptyl)benzoic acid (CID 115039628) is 2-(4-aminocycloheptyl)benzoic acid.
What is the SMILES notation for 2-(4-aminocycloheptyl)benzoic acid?
The canonical SMILES for 2-(4-aminocycloheptyl)benzoic acid is NC1CCCC(c2ccccc2C(=O)O)CC1.
What is the InChIKey of 2-(4-aminocycloheptyl)benzoic acid?
The InChIKey is XYQKNQPXNODUCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c15-11-5-3-4-10(8-9-11)12-6-1-2-7-13(12)14(16)17/h1-2,6-7,10-11H,3-5,8-9,15H2,(H,16,17).
What are the key properties of 2-(4-aminocycloheptyl)benzoic acid?
2-(4-aminocycloheptyl)benzoic acid has a molecular weight of 233.31 g/mol, XLogP of 2.76, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminocycloheptyl)benzoic acid is sourced from PubChem (CID 115039628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).