1-(4-aminophenyl)cyclopropane-1-carboxylic acid;hydrochloride

C10H12ClNO2 — CID 155970614

IUPAC1-(4-aminophenyl)cyclopropane-1-carboxylic acid;hydrochloride
SMILESCl.Nc1ccc(C2(C(=O)O)CC2)cc1
InChIInChI=1S/C10H11NO2.ClH/c11-8-3-1-7(2-4-8)10(5-6-10)9(12)13;/h1-4H,5-6,11H2,(H,12,13);1H
InChIKeyKWQVKGVBCAFCTA-UHFFFAOYSA-N
MW213.66 g/mol
LogP1.81
Rot. Bonds2

About 1-(4-aminophenyl)cyclopropane-1-carboxylic acid;hydrochloride

1-(4-aminophenyl)cyclopropane-1-carboxylic acid;hydrochloride (PubChem CID 155970614) has the molecular formula C10H12ClNO2 and a molecular weight of 213.66 g/mol. Its IUPAC name is 1-(4-aminophenyl)cyclopropane-1-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name1-(4-aminophenyl)cyclopropane-1-carboxylic acid;hydrochloride
PubChem CID155970614
Molecular FormulaC10H12ClNO2
Molecular Weight213.66 g/mol
Exact Mass213.06
IUPAC Name1-(4-aminophenyl)cyclopropane-1-carboxylic acid;hydrochloride
SMILESCl.Nc1ccc(C2(C(=O)O)CC2)cc1
InChIInChI=1S/C10H11NO2.ClH/c11-8-3-1-7(2-4-8)10(5-6-10)9(12)13;/h1-4H,5-6,11H2,(H,12,13);1H
InChIKeyKWQVKGVBCAFCTA-UHFFFAOYSA-N
XLogP1.81
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.66
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(4-aminophenyl)cyclopropane-1-carboxylic acid;hydrochloride 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

1-(4-aminophenyl)-N-phenylcyclopropane-1-carboxamide
CID 99613024
1-[[[1-(4-aminophenyl)cyclopropanecarbonyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 115913873
1-phenylcyclopropane-1-carboxamide;hydrochloride
CID 57461944
1-(4-aminophenyl)-N-methoxycyclopropane-1-carboxamide
CID 112558390
(2S)-2-[[1-(4-aminophenyl)cyclopropanecarbonyl]amino]propanoic acid
CID 103930588
1-[1-(4-aminophenyl)cyclopropyl]decan-1-one
CID 116611630
1-[1-(4-aminophenyl)cyclopropyl]-2-ethylbutan-1-one
CID 116611814
1-(4-chlorosulfonylphenyl)cyclopropane-1-carboxylic acid
CID 22504886
2-[[1-(4-aminophenyl)cyclopropanecarbonyl]-methylamino]-2-methylpropanoic acid
CID 115913638
1-(4-aminophenyl)-N,N-bis(2-hydroxyethyl)cyclopropane-1-carboxamide
CID 112558286
1-(4-methylphenyl)cyclobutane-1-carboxylic acid
CID 23295038
(2S)-2-[[1-(4-aminophenyl)cyclopropanecarbonyl]amino]-3-methylbutanoic acid
CID 103930585

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)cyclopropane-1-carboxylic acid;hydrochloride?
The IUPAC name of 1-(4-aminophenyl)cyclopropane-1-carboxylic acid;hydrochloride (CID 155970614) is 1-(4-aminophenyl)cyclopropane-1-carboxylic acid;hydrochloride.
What is the SMILES notation for 1-(4-aminophenyl)cyclopropane-1-carboxylic acid;hydrochloride?
The canonical SMILES for 1-(4-aminophenyl)cyclopropane-1-carboxylic acid;hydrochloride is Cl.Nc1ccc(C2(C(=O)O)CC2)cc1.
What is the InChIKey of 1-(4-aminophenyl)cyclopropane-1-carboxylic acid;hydrochloride?
The InChIKey is KWQVKGVBCAFCTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2.ClH/c11-8-3-1-7(2-4-8)10(5-6-10)9(12)13;/h1-4H,5-6,11H2,(H,12,13);1H.
What are the key properties of 1-(4-aminophenyl)cyclopropane-1-carboxylic acid;hydrochloride?
1-(4-aminophenyl)cyclopropane-1-carboxylic acid;hydrochloride has a molecular weight of 213.66 g/mol, XLogP of 1.81, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenyl)cyclopropane-1-carboxylic acid;hydrochloride is sourced from PubChem (CID 155970614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).