(3S)-3-amino-4-hydroxybutan-2-one

C4H9NO2 — CID 54159721

IUPAC(3S)-3-amino-4-hydroxybutan-2-one
SMILESCC(=O)[C@@H](N)CO
InChIInChI=1S/C4H9NO2/c1-3(7)4(5)2-6/h4,6H,2,5H2,1H3/t4-/m0/s1
InChIKeyHGPVTSXCIFGEST-BYPYZUCNSA-N
MW103.12 g/mol
LogP-1.11
Rot. Bonds2

About (3S)-3-amino-4-hydroxybutan-2-one

(3S)-3-amino-4-hydroxybutan-2-one (PubChem CID 54159721) has the molecular formula C4H9NO2 and a molecular weight of 103.12 g/mol. Its IUPAC name is (3S)-3-amino-4-hydroxybutan-2-one.

Molecular Properties

Compound Name(3S)-3-amino-4-hydroxybutan-2-one
PubChem CID54159721
Molecular FormulaC4H9NO2
Molecular Weight103.12 g/mol
Exact Mass103.06
IUPAC Name(3S)-3-amino-4-hydroxybutan-2-one
SMILESCC(=O)[C@@H](N)CO
InChIInChI=1S/C4H9NO2/c1-3(7)4(5)2-6/h4,6H,2,5H2,1H3/t4-/m0/s1
InChIKeyHGPVTSXCIFGEST-BYPYZUCNSA-N
XLogP-1.11
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500103.12
LogP ≤ 5-1.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3S)-3-amino-4-hydroxybutan-2-one 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 (3S)-3-amino-4-hydroxybutan-2-one?
The IUPAC name of (3S)-3-amino-4-hydroxybutan-2-one (CID 54159721) is (3S)-3-amino-4-hydroxybutan-2-one.
What is the SMILES notation for (3S)-3-amino-4-hydroxybutan-2-one?
The canonical SMILES for (3S)-3-amino-4-hydroxybutan-2-one is CC(=O)[C@@H](N)CO.
What is the InChIKey of (3S)-3-amino-4-hydroxybutan-2-one?
The InChIKey is HGPVTSXCIFGEST-BYPYZUCNSA-N. The full InChI is InChI=1S/C4H9NO2/c1-3(7)4(5)2-6/h4,6H,2,5H2,1H3/t4-/m0/s1.
What are the key properties of (3S)-3-amino-4-hydroxybutan-2-one?
(3S)-3-amino-4-hydroxybutan-2-one has a molecular weight of 103.12 g/mol, XLogP of -1.11, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-4-hydroxybutan-2-one is sourced from PubChem (CID 54159721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).