N-[4-[(1S)-1-amino-2-cyanoethyl]phenyl]acetamide;hydrochloride

C11H14ClN3O — CID 171259999

IUPACN-[4-[(1S)-1-amino-2-cyanoethyl]phenyl]acetamide;hydrochloride
SMILESCC(=O)Nc1ccc([C@@H](N)CC#N)cc1.Cl
InChIInChI=1S/C11H13N3O.ClH/c1-8(15)14-10-4-2-9(3-5-10)11(13)6-7-12;/h2-5,11H,6,13H2,1H3,(H,14,15);1H/t11-;/m0./s1
InChIKeyIZTACNVAIZGHPQ-MERQFXBCSA-N
MW239.71 g/mol
LogP1.98
Rot. Bonds3

About N-[4-[(1S)-1-amino-2-cyanoethyl]phenyl]acetamide;hydrochloride

N-[4-[(1S)-1-amino-2-cyanoethyl]phenyl]acetamide;hydrochloride (PubChem CID 171259999) has the molecular formula C11H14ClN3O and a molecular weight of 239.71 g/mol. Its IUPAC name is N-[4-[(1S)-1-amino-2-cyanoethyl]phenyl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-[4-[(1S)-1-amino-2-cyanoethyl]phenyl]acetamide;hydrochloride
PubChem CID171259999
Molecular FormulaC11H14ClN3O
Molecular Weight239.71 g/mol
Exact Mass239.08
IUPAC NameN-[4-[(1S)-1-amino-2-cyanoethyl]phenyl]acetamide;hydrochloride
SMILESCC(=O)Nc1ccc([C@@H](N)CC#N)cc1.Cl
InChIInChI=1S/C11H13N3O.ClH/c1-8(15)14-10-4-2-9(3-5-10)11(13)6-7-12;/h2-5,11H,6,13H2,1H3,(H,14,15);1H/t11-;/m0./s1
InChIKeyIZTACNVAIZGHPQ-MERQFXBCSA-N
XLogP1.98
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.71
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[4-[(1S)-1-amino-2-cyanoethyl]phenyl]acetamide;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

N-[4-(1-amino-2-fluoroethyl)phenyl]acetamide
CID 130059747
N-[4-[(1S)-1-aminobutyl]phenyl]acetamide;hydrochloride
CID 171226181
N-(4-acetamidophenyl)-3-cyano-2-methylpropanamide
CID 82118259
4-[(1S)-1-amino-2-cyanoethyl]benzoic acid
CID 130706454
N-[4-[(1S)-1,4-diaminobutyl]phenyl]acetamide
CID 171226174
3-amino-3-(4-propan-2-ylphenyl)propanenitrile
CID 55271456
N-[4-[(1S)-1-amino-2,2-dimethylpropyl]phenyl]acetamide;hydrochloride
CID 171241846
(3R)-3-amino-3-(4-bromophenyl)propanenitrile;hydrochloride
CID 162344433
N-[4-[(1R)-2-cyano-1-piperazin-1-ylethyl]phenyl]acetamide
CID 171306857
N-[4-[(1R)-1-amino-2-methylbutyl]phenyl]acetamide;hydrochloride
CID 171206638
(3S)-3-amino-3-(4-ethylphenyl)propanenitrile
CID 95435347
N-[4-[(1R)-1-amino-2,2-dimethylpropyl]phenyl]acetamide
CID 131465093

Frequently Asked Questions

What is the IUPAC name of N-[4-[(1S)-1-amino-2-cyanoethyl]phenyl]acetamide;hydrochloride?
The IUPAC name of N-[4-[(1S)-1-amino-2-cyanoethyl]phenyl]acetamide;hydrochloride (CID 171259999) is N-[4-[(1S)-1-amino-2-cyanoethyl]phenyl]acetamide;hydrochloride.
What is the SMILES notation for N-[4-[(1S)-1-amino-2-cyanoethyl]phenyl]acetamide;hydrochloride?
The canonical SMILES for N-[4-[(1S)-1-amino-2-cyanoethyl]phenyl]acetamide;hydrochloride is CC(=O)Nc1ccc([C@@H](N)CC#N)cc1.Cl.
What is the InChIKey of N-[4-[(1S)-1-amino-2-cyanoethyl]phenyl]acetamide;hydrochloride?
The InChIKey is IZTACNVAIZGHPQ-MERQFXBCSA-N. The full InChI is InChI=1S/C11H13N3O.ClH/c1-8(15)14-10-4-2-9(3-5-10)11(13)6-7-12;/h2-5,11H,6,13H2,1H3,(H,14,15);1H/t11-;/m0./s1.
What are the key properties of N-[4-[(1S)-1-amino-2-cyanoethyl]phenyl]acetamide;hydrochloride?
N-[4-[(1S)-1-amino-2-cyanoethyl]phenyl]acetamide;hydrochloride has a molecular weight of 239.71 g/mol, XLogP of 1.98, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(1S)-1-amino-2-cyanoethyl]phenyl]acetamide;hydrochloride is sourced from PubChem (CID 171259999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).