(2S)-2-amino-N-[(4-chlorophenyl)-cyclobutylmethyl]propanamide

C14H19ClN2O — CID 119318612

IUPAC(2S)-2-amino-N-[(4-chlorophenyl)-cyclobutylmethyl]propanamide
SMILESC[C@H](N)C(=O)NC(c1ccc(Cl)cc1)C1CCC1
InChIInChI=1S/C14H19ClN2O/c1-9(16)14(18)17-13(10-3-2-4-10)11-5-7-12(15)8-6-11/h5-10,13H,2-4,16H2,1H3,(H,17,18)/t9-,13?/m0/s1
InChIKeyFMTIFXAXAQIBJP-LLTODGECSA-N
MW266.77 g/mol
LogP2.64
Rot. Bonds4

About (2S)-2-amino-N-[(4-chlorophenyl)-cyclobutylmethyl]propanamide

(2S)-2-amino-N-[(4-chlorophenyl)-cyclobutylmethyl]propanamide (PubChem CID 119318612) has the molecular formula C14H19ClN2O and a molecular weight of 266.77 g/mol. Its IUPAC name is (2S)-2-amino-N-[(4-chlorophenyl)-cyclobutylmethyl]propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[(4-chlorophenyl)-cyclobutylmethyl]propanamide
PubChem CID119318612
Molecular FormulaC14H19ClN2O
Molecular Weight266.77 g/mol
Exact Mass266.12
IUPAC Name(2S)-2-amino-N-[(4-chlorophenyl)-cyclobutylmethyl]propanamide
SMILESC[C@H](N)C(=O)NC(c1ccc(Cl)cc1)C1CCC1
InChIInChI=1S/C14H19ClN2O/c1-9(16)14(18)17-13(10-3-2-4-10)11-5-7-12(15)8-6-11/h5-10,13H,2-4,16H2,1H3,(H,17,18)/t9-,13?/m0/s1
InChIKeyFMTIFXAXAQIBJP-LLTODGECSA-N
XLogP2.64
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.77
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2S)-2-amino-N-[(4-chlorophenyl)-cyclobutylmethyl]propanamide 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

(2S)-2-amino-N-[(4-chlorophenyl)-cyclopentylmethyl]propanamide;hydrochloride
CID 119318563
3-amino-N-[(4-chlorophenyl)-cyclopentylmethyl]-2-methylbutanamide;hydrochloride
CID 120500453
N-[(4-chlorophenyl)-cyclobutylmethyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119775158
2-amino-N-[(4-chlorophenyl)-cyclobutylmethyl]acetamide;hydrochloride
CID 119318615
3-amino-N-[(4-chlorophenyl)-cyclopropylmethyl]butanamide
CID 119689399
N-[(4-chlorophenyl)-cyclopropylmethyl]-2-hydroxy-4-methylpentanamide
CID 171677203
(2S)-N-[(S)-(4-chlorophenyl)-cyclobutylmethyl]-5-oxopyrrolidine-2-carboxamide
CID 95342739
4-amino-N-[(4-chlorophenyl)-cyclobutylmethyl]-3-methoxybutanamide;hydrochloride
CID 120591728
1-[(4-chlorophenyl)-cyclobutylmethyl]-3-(4-hydroxy-2-methylbutyl)urea
CID 111505907
1-(4-chlorophenyl)-1-cyclopentyl-N-methylmethanamine
CID 43481459
methyl 2-[[(4-chlorophenyl)-cyclopropylmethyl]amino]propanoate
CID 60666904
3-[[(4-chlorophenyl)-cyclopentylmethyl]carbamoyl-methylamino]-2-methylpropanoic acid
CID 122000936

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[(4-chlorophenyl)-cyclobutylmethyl]propanamide?
The IUPAC name of (2S)-2-amino-N-[(4-chlorophenyl)-cyclobutylmethyl]propanamide (CID 119318612) is (2S)-2-amino-N-[(4-chlorophenyl)-cyclobutylmethyl]propanamide.
What is the SMILES notation for (2S)-2-amino-N-[(4-chlorophenyl)-cyclobutylmethyl]propanamide?
The canonical SMILES for (2S)-2-amino-N-[(4-chlorophenyl)-cyclobutylmethyl]propanamide is C[C@H](N)C(=O)NC(c1ccc(Cl)cc1)C1CCC1.
What is the InChIKey of (2S)-2-amino-N-[(4-chlorophenyl)-cyclobutylmethyl]propanamide?
The InChIKey is FMTIFXAXAQIBJP-LLTODGECSA-N. The full InChI is InChI=1S/C14H19ClN2O/c1-9(16)14(18)17-13(10-3-2-4-10)11-5-7-12(15)8-6-11/h5-10,13H,2-4,16H2,1H3,(H,17,18)/t9-,13?/m0/s1.
What are the key properties of (2S)-2-amino-N-[(4-chlorophenyl)-cyclobutylmethyl]propanamide?
(2S)-2-amino-N-[(4-chlorophenyl)-cyclobutylmethyl]propanamide has a molecular weight of 266.77 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 (2S)-2-amino-N-[(4-chlorophenyl)-cyclobutylmethyl]propanamide is sourced from PubChem (CID 119318612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).