(2S)-2-amino-3-(methylamino)propanoic acid;hydrochloride

C4H11ClN2O2 — CID 51358333

IUPAC(2S)-2-amino-3-(methylamino)propanoic acid;hydrochloride
SMILESCNC[C@H](N)C(=O)O.Cl
InChIInChI=1S/C4H10N2O2.ClH/c1-6-2-3(5)4(7)8;/h3,6H,2,5H2,1H3,(H,7,8);1H/t3-;/m0./s1
InChIKeyVDXYGASOGLSIDM-DFWYDOINSA-N
MW154.60 g/mol
LogP-0.96
Rot. Bonds3

About (2S)-2-amino-3-(methylamino)propanoic acid;hydrochloride

(2S)-2-amino-3-(methylamino)propanoic acid;hydrochloride (PubChem CID 51358333) has the molecular formula C4H11ClN2O2 and a molecular weight of 154.60 g/mol. Its IUPAC name is (2S)-2-amino-3-(methylamino)propanoic acid;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-3-(methylamino)propanoic acid;hydrochloride
PubChem CID51358333
Molecular FormulaC4H11ClN2O2
Molecular Weight154.60 g/mol
Exact Mass154.05
IUPAC Name(2S)-2-amino-3-(methylamino)propanoic acid;hydrochloride
SMILESCNC[C@H](N)C(=O)O.Cl
InChIInChI=1S/C4H10N2O2.ClH/c1-6-2-3(5)4(7)8;/h3,6H,2,5H2,1H3,(H,7,8);1H/t3-;/m0./s1
InChIKeyVDXYGASOGLSIDM-DFWYDOINSA-N
XLogP-0.96
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.60
LogP ≤ 5-0.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2S)-2-amino-3-(methylamino)propanoic acid;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-amino-3-(methylamino)propanoic acid;hydrochloride?
The IUPAC name of (2S)-2-amino-3-(methylamino)propanoic acid;hydrochloride (CID 51358333) is (2S)-2-amino-3-(methylamino)propanoic acid;hydrochloride.
What is the SMILES notation for (2S)-2-amino-3-(methylamino)propanoic acid;hydrochloride?
The canonical SMILES for (2S)-2-amino-3-(methylamino)propanoic acid;hydrochloride is CNC[C@H](N)C(=O)O.Cl.
What is the InChIKey of (2S)-2-amino-3-(methylamino)propanoic acid;hydrochloride?
The InChIKey is VDXYGASOGLSIDM-DFWYDOINSA-N. The full InChI is InChI=1S/C4H10N2O2.ClH/c1-6-2-3(5)4(7)8;/h3,6H,2,5H2,1H3,(H,7,8);1H/t3-;/m0./s1.
What are the key properties of (2S)-2-amino-3-(methylamino)propanoic acid;hydrochloride?
(2S)-2-amino-3-(methylamino)propanoic acid;hydrochloride has a molecular weight of 154.60 g/mol, XLogP of -0.96, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-(methylamino)propanoic acid;hydrochloride is sourced from PubChem (CID 51358333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).