4-hydroxy-3-(methylamino)pentan-2-one

C6H13NO2 — CID 22981507

IUPAC4-hydroxy-3-(methylamino)pentan-2-one
SMILESCNC(C(C)=O)C(C)O
InChIInChI=1S/C6H13NO2/c1-4(8)6(7-3)5(2)9/h4,6-8H,1-3H3
InChIKeyAFYZBEBQNWNXRY-UHFFFAOYSA-N
MW131.17 g/mol
LogP-0.46
Rot. Bonds3

About 4-hydroxy-3-(methylamino)pentan-2-one

4-hydroxy-3-(methylamino)pentan-2-one (PubChem CID 22981507) has the molecular formula C6H13NO2 and a molecular weight of 131.17 g/mol. Its IUPAC name is 4-hydroxy-3-(methylamino)pentan-2-one.

Molecular Properties

Compound Name4-hydroxy-3-(methylamino)pentan-2-one
PubChem CID22981507
Molecular FormulaC6H13NO2
Molecular Weight131.17 g/mol
Exact Mass131.09
IUPAC Name4-hydroxy-3-(methylamino)pentan-2-one
SMILESCNC(C(C)=O)C(C)O
InChIInChI=1S/C6H13NO2/c1-4(8)6(7-3)5(2)9/h4,6-8H,1-3H3
InChIKeyAFYZBEBQNWNXRY-UHFFFAOYSA-N
XLogP-0.46
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.17
LogP ≤ 5-0.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-hydroxy-3-(methylamino)pentan-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

Related Compounds

methane;4-methyl-3-(methylamino)pentan-2-one
CID 158029280
(3S)-3-hydroxy-2-(methylamino)butanoic acid
CID 130189259
(3R,4R)-4-hydroxy-3-(propan-2-ylamino)pentan-2-one
CID 157133693
(2S,3R)-3-hydroxy-N,N-dimethyl-2-(methylamino)butanamide
CID 163858053
methyl (2S,3R)-3-hydroxy-2-(methylamino)butanoate
CID 11615188
(3S)-4-hydroxy-3-(2-methylpropylamino)pentan-2-one
CID 158144524
3-methyl-2-(methylamino)-N-(2-methyl-4-oxopentan-3-yl)butanamide
CID 154976995
ethane;N-formyl-3-hydroxy-2-(methylamino)butanamide
CID 171078131
2-amino-N-[(2R,3S)-2-hydroxy-4-oxopentan-3-yl]acetamide
CID 155415665
(2S,5S,6R)-1,6-dihydroxy-2,5-bis(methylamino)heptane-3,4-dione
CID 58350605
(2S)-2-acetamido-3-hydroxy-N-methylbutanamide
CID 130699535
N-methylacetamide;1-(methylamino)ethanol
CID 159501218

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-(methylamino)pentan-2-one?
The IUPAC name of 4-hydroxy-3-(methylamino)pentan-2-one (CID 22981507) is 4-hydroxy-3-(methylamino)pentan-2-one.
What is the SMILES notation for 4-hydroxy-3-(methylamino)pentan-2-one?
The canonical SMILES for 4-hydroxy-3-(methylamino)pentan-2-one is CNC(C(C)=O)C(C)O.
What is the InChIKey of 4-hydroxy-3-(methylamino)pentan-2-one?
The InChIKey is AFYZBEBQNWNXRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2/c1-4(8)6(7-3)5(2)9/h4,6-8H,1-3H3.
What are the key properties of 4-hydroxy-3-(methylamino)pentan-2-one?
4-hydroxy-3-(methylamino)pentan-2-one has a molecular weight of 131.17 g/mol, XLogP of -0.46, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-(methylamino)pentan-2-one is sourced from PubChem (CID 22981507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).