1-hydroxy-3-methyl-3-(methylamino)butan-2-one

C6H13NO2 — CID 155655031

IUPAC1-hydroxy-3-methyl-3-(methylamino)butan-2-one
SMILESCNC(C)(C)C(=O)CO
InChIInChI=1S/C6H13NO2/c1-6(2,7-3)5(9)4-8/h7-8H,4H2,1-3H3
InChIKeyWJKHHNPLILDXMR-UHFFFAOYSA-N
MW131.17 g/mol
LogP-0.45
Rot. Bonds3

About 1-hydroxy-3-methyl-3-(methylamino)butan-2-one

1-hydroxy-3-methyl-3-(methylamino)butan-2-one (PubChem CID 155655031) has the molecular formula C6H13NO2 and a molecular weight of 131.17 g/mol. Its IUPAC name is 1-hydroxy-3-methyl-3-(methylamino)butan-2-one.

Molecular Properties

Compound Name1-hydroxy-3-methyl-3-(methylamino)butan-2-one
PubChem CID155655031
Molecular FormulaC6H13NO2
Molecular Weight131.17 g/mol
Exact Mass131.09
IUPAC Name1-hydroxy-3-methyl-3-(methylamino)butan-2-one
SMILESCNC(C)(C)C(=O)CO
InChIInChI=1S/C6H13NO2/c1-6(2,7-3)5(9)4-8/h7-8H,4H2,1-3H3
InChIKeyWJKHHNPLILDXMR-UHFFFAOYSA-N
XLogP-0.45
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 ≤ 5-0.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-chloro-3-methyl-3-(methylamino)butan-2-one
CID 159365192
2-methyl-2-(methylamino)heptan-3-one
CID 116566324
2,7,7-trimethyl-2-(methylamino)oct-5-yn-3-one
CID 130478990
(2S)-2,5-dimethyl-5-(methylamino)-4-oxohexanamide
CID 157242998
7,7,7-trifluoro-2-methyl-2-(methylamino)heptan-3-one
CID 116566472
N,2-dimethyl-2-(methylamino)propanamide;hydrochloride
CID 75530899
1,3,4-trihydroxy-3-methylbutan-2-one
CID 14120419
methyl 2-methyl-2-((111C)methylamino)propanoate
CID 10534687
4-ethyl-2-methyl-2-(methylamino)hexan-3-one
CID 116566544
N-(4-hydroxybutyl)-2-methyl-2-(methylamino)propanamide
CID 106842052
1-hydroxy-3-methoxy-3-methylbutan-2-one
CID 126974632
2-methyl-2-(methylamino)-N-propylpropanamide
CID 21365766

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-3-methyl-3-(methylamino)butan-2-one?
The IUPAC name of 1-hydroxy-3-methyl-3-(methylamino)butan-2-one (CID 155655031) is 1-hydroxy-3-methyl-3-(methylamino)butan-2-one.
What is the SMILES notation for 1-hydroxy-3-methyl-3-(methylamino)butan-2-one?
The canonical SMILES for 1-hydroxy-3-methyl-3-(methylamino)butan-2-one is CNC(C)(C)C(=O)CO.
What is the InChIKey of 1-hydroxy-3-methyl-3-(methylamino)butan-2-one?
The InChIKey is WJKHHNPLILDXMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2/c1-6(2,7-3)5(9)4-8/h7-8H,4H2,1-3H3.
What are the key properties of 1-hydroxy-3-methyl-3-(methylamino)butan-2-one?
1-hydroxy-3-methyl-3-(methylamino)butan-2-one has a molecular weight of 131.17 g/mol, XLogP of -0.45, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-3-methyl-3-(methylamino)butan-2-one is sourced from PubChem (CID 155655031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).