(2S)-2-aminopropanenitrile;hydrochloride

C3H7ClN2 — CID 71757440

IUPAC(2S)-2-aminopropanenitrile;hydrochloride
SMILESC[C@H](N)C#N.Cl
InChIInChI=1S/C3H6N2.ClH/c1-3(5)2-4;/h3H,5H2,1H3;1H/t3-;/m0./s1
InChIKeyWJGQCCPNVRCAQI-DFWYDOINSA-N
MW106.56 g/mol
LogP0.28
Rot. Bonds

About (2S)-2-aminopropanenitrile;hydrochloride

(2S)-2-aminopropanenitrile;hydrochloride (PubChem CID 71757440) has the molecular formula C3H7ClN2 and a molecular weight of 106.56 g/mol. Its IUPAC name is (2S)-2-aminopropanenitrile;hydrochloride.

Molecular Properties

Compound Name(2S)-2-aminopropanenitrile;hydrochloride
PubChem CID71757440
Molecular FormulaC3H7ClN2
Molecular Weight106.56 g/mol
Exact Mass106.03
IUPAC Name(2S)-2-aminopropanenitrile;hydrochloride
SMILESC[C@H](N)C#N.Cl
InChIInChI=1S/C3H6N2.ClH/c1-3(5)2-4;/h3H,5H2,1H3;1H/t3-;/m0./s1
InChIKeyWJGQCCPNVRCAQI-DFWYDOINSA-N
XLogP0.28
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500106.56
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2S)-2-aminopropanenitrile;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-2-aminopropanenitrile;hydrochloride?
The IUPAC name of (2S)-2-aminopropanenitrile;hydrochloride (CID 71757440) is (2S)-2-aminopropanenitrile;hydrochloride.
What is the SMILES notation for (2S)-2-aminopropanenitrile;hydrochloride?
The canonical SMILES for (2S)-2-aminopropanenitrile;hydrochloride is C[C@H](N)C#N.Cl.
What is the InChIKey of (2S)-2-aminopropanenitrile;hydrochloride?
The InChIKey is WJGQCCPNVRCAQI-DFWYDOINSA-N. The full InChI is InChI=1S/C3H6N2.ClH/c1-3(5)2-4;/h3H,5H2,1H3;1H/t3-;/m0./s1.
What are the key properties of (2S)-2-aminopropanenitrile;hydrochloride?
(2S)-2-aminopropanenitrile;hydrochloride has a molecular weight of 106.56 g/mol, XLogP of 0.28, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-aminopropanenitrile;hydrochloride is sourced from PubChem (CID 71757440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).