benzyl N-[(2S)-2-amino-3-(4-chlorophenyl)propanoyl]carbamate

C17H17ClN2O3 — CID 173414355

IUPACbenzyl N-[(2S)-2-amino-3-(4-chlorophenyl)propanoyl]carbamate
SMILESN[C@@H](Cc1ccc(Cl)cc1)C(=O)NC(=O)OCc1ccccc1
InChIInChI=1S/C17H17ClN2O3/c18-14-8-6-12(7-9-14)10-15(19)16(21)20-17(22)23-11-13-4-2-1-3-5-13/h1-9,15H,10-11,19H2,(H,20,21,22)/t15-/m0/s1
InChIKeyYJMZJQPKUMTQLF-HNNXBMFYSA-N
MW332.79 g/mol
LogP2.66
Rot. Bonds5

About benzyl N-[(2S)-2-amino-3-(4-chlorophenyl)propanoyl]carbamate

benzyl N-[(2S)-2-amino-3-(4-chlorophenyl)propanoyl]carbamate (PubChem CID 173414355) has the molecular formula C17H17ClN2O3 and a molecular weight of 332.79 g/mol. Its IUPAC name is benzyl N-[(2S)-2-amino-3-(4-chlorophenyl)propanoyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(2S)-2-amino-3-(4-chlorophenyl)propanoyl]carbamate
PubChem CID173414355
Molecular FormulaC17H17ClN2O3
Molecular Weight332.79 g/mol
Exact Mass332.09
IUPAC Namebenzyl N-[(2S)-2-amino-3-(4-chlorophenyl)propanoyl]carbamate
SMILESN[C@@H](Cc1ccc(Cl)cc1)C(=O)NC(=O)OCc1ccccc1
InChIInChI=1S/C17H17ClN2O3/c18-14-8-6-12(7-9-14)10-15(19)16(21)20-17(22)23-11-13-4-2-1-3-5-13/h1-9,15H,10-11,19H2,(H,20,21,22)/t15-/m0/s1
InChIKeyYJMZJQPKUMTQLF-HNNXBMFYSA-N
XLogP2.66
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.79
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze benzyl N-[(2S)-2-amino-3-(4-chlorophenyl)propanoyl]carbamate 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

benzyl N-(2,5-diaminopentanoyl)carbamate
CID 67793567
(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-(4-chlorophenyl)propanoic acid
CID 175869880
(2S)-2-amino-N-[(2S)-2-amino-3-phenylpropanoyl]-3-phenylpropanamide
CID 21116073
(4-chlorophenyl)methyl 3-phenyl-2-(phenylmethoxycarbonylamino)propanoate
CID 3916130
benzyl N-[(2R)-2-amino-4-methylpentanoyl]carbamate
CID 150888209
benzyl N-(2-aminopropanoyl)carbamate
CID 54205140
(2R)-2-amino-3-(4-chlorophenyl)-N-(2-phenylethyl)propanamide
CID 70832630
(2S)-2-amino-N-[(1S)-1-(4-chlorophenyl)ethyl]-3-phenylpropanamide
CID 81355557
methyl N-[(2S)-2-amino-3-(4-phenylphenyl)propanoyl]carbamate
CID 118163587
benzyl N-[(2S)-2-amino-3-(methoxymethoxy)propanoyl]carbamate
CID 18643839
benzyl N-[(2S)-2-amino-3-hydroxybutanoyl]carbamate
CID 67860655
benzyl N-(2-amino-3-hydroxybutanoyl)carbamate
CID 19774489

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(2S)-2-amino-3-(4-chlorophenyl)propanoyl]carbamate?
The IUPAC name of benzyl N-[(2S)-2-amino-3-(4-chlorophenyl)propanoyl]carbamate (CID 173414355) is benzyl N-[(2S)-2-amino-3-(4-chlorophenyl)propanoyl]carbamate.
What is the SMILES notation for benzyl N-[(2S)-2-amino-3-(4-chlorophenyl)propanoyl]carbamate?
The canonical SMILES for benzyl N-[(2S)-2-amino-3-(4-chlorophenyl)propanoyl]carbamate is N[C@@H](Cc1ccc(Cl)cc1)C(=O)NC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-[(2S)-2-amino-3-(4-chlorophenyl)propanoyl]carbamate?
The InChIKey is YJMZJQPKUMTQLF-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H17ClN2O3/c18-14-8-6-12(7-9-14)10-15(19)16(21)20-17(22)23-11-13-4-2-1-3-5-13/h1-9,15H,10-11,19H2,(H,20,21,22)/t15-/m0/s1.
What are the key properties of benzyl N-[(2S)-2-amino-3-(4-chlorophenyl)propanoyl]carbamate?
benzyl N-[(2S)-2-amino-3-(4-chlorophenyl)propanoyl]carbamate has a molecular weight of 332.79 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(2S)-2-amino-3-(4-chlorophenyl)propanoyl]carbamate is sourced from PubChem (CID 173414355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).