2-hydroxy-3-(methylamino)butanenitrile

C5H10N2O — CID 59871564

IUPAC2-hydroxy-3-(methylamino)butanenitrile
SMILESCNC(C)C(O)C#N
InChIInChI=1S/C5H10N2O/c1-4(7-2)5(8)3-6/h4-5,7-8H,1-2H3
InChIKeyFHOUHPVGDCLGEX-UHFFFAOYSA-N
MW114.15 g/mol
LogP-0.52
Rot. Bonds2

About 2-hydroxy-3-(methylamino)butanenitrile

2-hydroxy-3-(methylamino)butanenitrile (PubChem CID 59871564) has the molecular formula C5H10N2O and a molecular weight of 114.15 g/mol. Its IUPAC name is 2-hydroxy-3-(methylamino)butanenitrile.

Molecular Properties

Compound Name2-hydroxy-3-(methylamino)butanenitrile
PubChem CID59871564
Molecular FormulaC5H10N2O
Molecular Weight114.15 g/mol
Exact Mass114.08
IUPAC Name2-hydroxy-3-(methylamino)butanenitrile
SMILESCNC(C)C(O)C#N
InChIInChI=1S/C5H10N2O/c1-4(7-2)5(8)3-6/h4-5,7-8H,1-2H3
InChIKeyFHOUHPVGDCLGEX-UHFFFAOYSA-N
XLogP-0.52
TPSA56.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.15
LogP ≤ 5-0.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanohydrins', 'substructure': 'N/A'}

Analyze 2-hydroxy-3-(methylamino)butanenitrile 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 2-hydroxy-3-(methylamino)butanenitrile?
The IUPAC name of 2-hydroxy-3-(methylamino)butanenitrile (CID 59871564) is 2-hydroxy-3-(methylamino)butanenitrile.
What is the SMILES notation for 2-hydroxy-3-(methylamino)butanenitrile?
The canonical SMILES for 2-hydroxy-3-(methylamino)butanenitrile is CNC(C)C(O)C#N.
What is the InChIKey of 2-hydroxy-3-(methylamino)butanenitrile?
The InChIKey is FHOUHPVGDCLGEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O/c1-4(7-2)5(8)3-6/h4-5,7-8H,1-2H3.
What are the key properties of 2-hydroxy-3-(methylamino)butanenitrile?
2-hydroxy-3-(methylamino)butanenitrile has a molecular weight of 114.15 g/mol, XLogP of -0.52, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-(methylamino)butanenitrile is sourced from PubChem (CID 59871564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).