1-[(1R)-2-amino-1-(3-chlorophenyl)ethyl]cyclobutane-1-carboxylic acid

C13H16ClNO2 — CID 125452500

IUPAC1-[(1R)-2-amino-1-(3-chlorophenyl)ethyl]cyclobutane-1-carboxylic acid
SMILESNC[C@H](c1cccc(Cl)c1)C1(C(=O)O)CCC1
InChIInChI=1S/C13H16ClNO2/c14-10-4-1-3-9(7-10)11(8-15)13(12(16)17)5-2-6-13/h1,3-4,7,11H,2,5-6,8,15H2,(H,16,17)/t11-/m1/s1
InChIKeyJTMHPWGZXDDFLX-LLVKDONJSA-N
MW253.73 g/mol
LogP2.64
Rot. Bonds4

About 1-[(1R)-2-amino-1-(3-chlorophenyl)ethyl]cyclobutane-1-carboxylic acid

1-[(1R)-2-amino-1-(3-chlorophenyl)ethyl]cyclobutane-1-carboxylic acid (PubChem CID 125452500) has the molecular formula C13H16ClNO2 and a molecular weight of 253.73 g/mol. Its IUPAC name is 1-[(1R)-2-amino-1-(3-chlorophenyl)ethyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(1R)-2-amino-1-(3-chlorophenyl)ethyl]cyclobutane-1-carboxylic acid
PubChem CID125452500
Molecular FormulaC13H16ClNO2
Molecular Weight253.73 g/mol
Exact Mass253.09
IUPAC Name1-[(1R)-2-amino-1-(3-chlorophenyl)ethyl]cyclobutane-1-carboxylic acid
SMILESNC[C@H](c1cccc(Cl)c1)C1(C(=O)O)CCC1
InChIInChI=1S/C13H16ClNO2/c14-10-4-1-3-9(7-10)11(8-15)13(12(16)17)5-2-6-13/h1,3-4,7,11H,2,5-6,8,15H2,(H,16,17)/t11-/m1/s1
InChIKeyJTMHPWGZXDDFLX-LLVKDONJSA-N
XLogP2.64
TPSA63.32 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 ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-[(1R)-2-amino-1-(3-chlorophenyl)ethyl]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

1-[(1S)-2-amino-1-(3-hydroxyphenyl)ethyl]cyclobutane-1-carboxylic acid
CID 125453575
1-[(1R)-2-amino-1-(3-cyanophenyl)ethyl]cyclobutane-1-carboxylic acid
CID 125454213
1-[(1R)-2-amino-1-(4-propan-2-ylphenyl)ethyl]cyclopentane-1-carboxylic acid
CID 125453369
2-amino-1-(3-chlorophenyl)ethanol;carbonic acid
CID 67865938
1-[(1S)-2-amino-1-(2-methylphenyl)ethyl]cyclopentane-1-carboxylic acid
CID 125452234
1-[(1S)-2-amino-1-(2-cyanophenyl)ethyl]cyclobutane-1-carboxylic acid
CID 125452888
(3S)-3-(3-chlorophenyl)-3-phenylpropanamide
CID 125467279
1-[(1S)-2-amino-1-(1H-pyrazol-5-yl)ethyl]cyclobutane-1-carboxylic acid
CID 125452194
2-(3-chlorophenyl)-2-(1-hydroxycyclohexyl)acetic acid
CID 68853928
2-(1-aminocyclobutyl)-N-[(1R)-1-(3-chlorophenyl)ethyl]acetamide
CID 81371808
3-amino-2-(3-chlorophenyl)propan-1-ol;hydrochloride
CID 119031530
(2R)-2-amino-2-(3-chlorophenyl)acetic acid;hydrochloride
CID 91800311

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-2-amino-1-(3-chlorophenyl)ethyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[(1R)-2-amino-1-(3-chlorophenyl)ethyl]cyclobutane-1-carboxylic acid (CID 125452500) is 1-[(1R)-2-amino-1-(3-chlorophenyl)ethyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[(1R)-2-amino-1-(3-chlorophenyl)ethyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[(1R)-2-amino-1-(3-chlorophenyl)ethyl]cyclobutane-1-carboxylic acid is NC[C@H](c1cccc(Cl)c1)C1(C(=O)O)CCC1.
What is the InChIKey of 1-[(1R)-2-amino-1-(3-chlorophenyl)ethyl]cyclobutane-1-carboxylic acid?
The InChIKey is JTMHPWGZXDDFLX-LLVKDONJSA-N. The full InChI is InChI=1S/C13H16ClNO2/c14-10-4-1-3-9(7-10)11(8-15)13(12(16)17)5-2-6-13/h1,3-4,7,11H,2,5-6,8,15H2,(H,16,17)/t11-/m1/s1.
What are the key properties of 1-[(1R)-2-amino-1-(3-chlorophenyl)ethyl]cyclobutane-1-carboxylic acid?
1-[(1R)-2-amino-1-(3-chlorophenyl)ethyl]cyclobutane-1-carboxylic acid has a molecular weight of 253.73 g/mol, XLogP of 2.64, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-2-amino-1-(3-chlorophenyl)ethyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 125452500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).