4-amino-3-cyclopropylbenzoic acid

C10H11NO2 — CID 22111826

IUPAC4-amino-3-cyclopropylbenzoic acid
SMILESNc1ccc(C(=O)O)cc1C1CC1
InChIInChI=1S/C10H11NO2/c11-9-4-3-7(10(12)13)5-8(9)6-1-2-6/h3-6H,1-2,11H2,(H,12,13)
InChIKeyIQENRSYKXKPHPP-UHFFFAOYSA-N
MW177.20 g/mol
LogP1.84
Rot. Bonds2

About 4-amino-3-cyclopropylbenzoic acid

4-amino-3-cyclopropylbenzoic acid (PubChem CID 22111826) has the molecular formula C10H11NO2 and a molecular weight of 177.20 g/mol. Its IUPAC name is 4-amino-3-cyclopropylbenzoic acid.

Molecular Properties

Compound Name4-amino-3-cyclopropylbenzoic acid
PubChem CID22111826
Molecular FormulaC10H11NO2
Molecular Weight177.20 g/mol
Exact Mass177.08
IUPAC Name4-amino-3-cyclopropylbenzoic acid
SMILESNc1ccc(C(=O)O)cc1C1CC1
InChIInChI=1S/C10H11NO2/c11-9-4-3-7(10(12)13)5-8(9)6-1-2-6/h3-6H,1-2,11H2,(H,12,13)
InChIKeyIQENRSYKXKPHPP-UHFFFAOYSA-N
XLogP1.84
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-amino-3-cyclopropylbenzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-cyclopropylbenzoic acid?
The IUPAC name of 4-amino-3-cyclopropylbenzoic acid (CID 22111826) is 4-amino-3-cyclopropylbenzoic acid.
What is the SMILES notation for 4-amino-3-cyclopropylbenzoic acid?
The canonical SMILES for 4-amino-3-cyclopropylbenzoic acid is Nc1ccc(C(=O)O)cc1C1CC1.
What is the InChIKey of 4-amino-3-cyclopropylbenzoic acid?
The InChIKey is IQENRSYKXKPHPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2/c11-9-4-3-7(10(12)13)5-8(9)6-1-2-6/h3-6H,1-2,11H2,(H,12,13).
What are the key properties of 4-amino-3-cyclopropylbenzoic acid?
4-amino-3-cyclopropylbenzoic acid has a molecular weight of 177.20 g/mol, XLogP of 1.84, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-cyclopropylbenzoic acid is sourced from PubChem (CID 22111826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).