2-[1-(2-chlorophenyl)ethylamino]cyclobutane-1-carboxylic acid

C13H16ClNO2 — CID 103245807

IUPAC2-[1-(2-chlorophenyl)ethylamino]cyclobutane-1-carboxylic acid
SMILESCC(NC1CCC1C(=O)O)c1ccccc1Cl
InChIInChI=1S/C13H16ClNO2/c1-8(9-4-2-3-5-11(9)14)15-12-7-6-10(12)13(16)17/h2-5,8,10,12,15H,6-7H2,1H3,(H,16,17)
InChIKeyKSCMHMDULRHKCH-UHFFFAOYSA-N
MW253.73 g/mol
LogP2.85
Rot. Bonds4

About 2-[1-(2-chlorophenyl)ethylamino]cyclobutane-1-carboxylic acid

2-[1-(2-chlorophenyl)ethylamino]cyclobutane-1-carboxylic acid (PubChem CID 103245807) has the molecular formula C13H16ClNO2 and a molecular weight of 253.73 g/mol. Its IUPAC name is 2-[1-(2-chlorophenyl)ethylamino]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name2-[1-(2-chlorophenyl)ethylamino]cyclobutane-1-carboxylic acid
PubChem CID103245807
Molecular FormulaC13H16ClNO2
Molecular Weight253.73 g/mol
Exact Mass253.09
IUPAC Name2-[1-(2-chlorophenyl)ethylamino]cyclobutane-1-carboxylic acid
SMILESCC(NC1CCC1C(=O)O)c1ccccc1Cl
InChIInChI=1S/C13H16ClNO2/c1-8(9-4-2-3-5-11(9)14)15-12-7-6-10(12)13(16)17/h2-5,8,10,12,15H,6-7H2,1H3,(H,16,17)
InChIKeyKSCMHMDULRHKCH-UHFFFAOYSA-N
XLogP2.85
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.73
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[1-(2-chlorophenyl)ethylamino]cyclobutane-1-carboxylic 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-[[(1S)-1-(2-chlorophenyl)ethyl]amino]cyclobutane-1-carboxylic acid
CID 103260204
2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]cyclohexan-1-ol
CID 81379546
tert-butyl N-[2-[1-(2-chlorophenyl)ethylamino]cyclopropyl]carbamate
CID 107238238
1-[1-(2-chlorophenyl)ethylcarbamoyl]-4-methylpyrrolidine-3-carboxylic acid
CID 63720419
trans-(1S,2S)-2-[[(1S)-1-phenylethyl]amino]cyclopentane-1-carboxylic acid
CID 11020794
2-[1-(4-methylphenyl)ethylamino]cyclobutane-1-carboxylic acid
CID 103246093
trans-(1R,2R)-2-[[(1R)-1-phenylethyl]amino]cyclopentane-1-carboxylic acid
CID 10933381
1-[4-[1-(2-chlorophenyl)ethylamino]piperidin-1-yl]ethanone
CID 43223681
N-[(1R)-1-(2-chlorophenyl)ethyl]-3,4-dimethylcyclohexan-1-amine
CID 81377645
2-[1-(4-fluorophenyl)ethylamino]cyclobutane-1-carboxylic acid
CID 103244298
N-[1-(2-chlorophenyl)ethyl]-2,4,4-trimethylcyclohexan-1-amine
CID 81320693
1-[[(1S)-1-(2-chlorophenyl)ethyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122015572

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-chlorophenyl)ethylamino]cyclobutane-1-carboxylic acid?
The IUPAC name of 2-[1-(2-chlorophenyl)ethylamino]cyclobutane-1-carboxylic acid (CID 103245807) is 2-[1-(2-chlorophenyl)ethylamino]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 2-[1-(2-chlorophenyl)ethylamino]cyclobutane-1-carboxylic acid?
The canonical SMILES for 2-[1-(2-chlorophenyl)ethylamino]cyclobutane-1-carboxylic acid is CC(NC1CCC1C(=O)O)c1ccccc1Cl.
What is the InChIKey of 2-[1-(2-chlorophenyl)ethylamino]cyclobutane-1-carboxylic acid?
The InChIKey is KSCMHMDULRHKCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO2/c1-8(9-4-2-3-5-11(9)14)15-12-7-6-10(12)13(16)17/h2-5,8,10,12,15H,6-7H2,1H3,(H,16,17).
What are the key properties of 2-[1-(2-chlorophenyl)ethylamino]cyclobutane-1-carboxylic acid?
2-[1-(2-chlorophenyl)ethylamino]cyclobutane-1-carboxylic acid has a molecular weight of 253.73 g/mol, XLogP of 2.85, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-chlorophenyl)ethylamino]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 103245807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).