4-amino-5-hydroxy-2-methylhexan-3-one

C7H15NO2 — CID 58593164

IUPAC4-amino-5-hydroxy-2-methylhexan-3-one
SMILESCC(C)C(=O)C(N)C(C)O
InChIInChI=1S/C7H15NO2/c1-4(2)7(10)6(8)5(3)9/h4-6,9H,8H2,1-3H3
InChIKeyIWDOFHWXSJTLSA-UHFFFAOYSA-N
MW145.20 g/mol
LogP-0.08
Rot. Bonds3

About 4-amino-5-hydroxy-2-methylhexan-3-one

4-amino-5-hydroxy-2-methylhexan-3-one (PubChem CID 58593164) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is 4-amino-5-hydroxy-2-methylhexan-3-one.

Molecular Properties

Compound Name4-amino-5-hydroxy-2-methylhexan-3-one
PubChem CID58593164
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC Name4-amino-5-hydroxy-2-methylhexan-3-one
SMILESCC(C)C(=O)C(N)C(C)O
InChIInChI=1S/C7H15NO2/c1-4(2)7(10)6(8)5(3)9/h4-6,9H,8H2,1-3H3
InChIKeyIWDOFHWXSJTLSA-UHFFFAOYSA-N
XLogP-0.08
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,3R)-2-amino-3-hydroxybutanoic acid
CID 158974218
(2R,3S)-2-amino-3-hydroxybutanamide
CID 22877840
(2S,3S)-2-amino-3-hydroxybutanoic acid;hydrochloride
CID 122360052
2-amino-3-hydroxybutanoic acid;selane
CID 174980406
(5R)-4-amino-2,5-dimethylheptan-3-one
CID 59877270
propan-2-yl (2S,3S)-2-amino-3-hydroxybutanoate
CID 93251792
(2S,3R)-2-amino-3-hydroxybutaneperoxoic acid
CID 87892301
2-amino-3-hydroxybutanoic acid;urea
CID 174908114
magnesium bis((2S,3R)-2-amino-3-hydroxybutanoate)
CID 156579837
bis((2S,3R)-2-amino-3-hydroxybutanoate);iron(2+)
CID 175941555
4-amino-6-hydroxy-2-methylhexan-3-one
CID 88980975
phosphanyl (2S,3R)-2-amino-3-hydroxybutanoate
CID 174381323

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-hydroxy-2-methylhexan-3-one?
The IUPAC name of 4-amino-5-hydroxy-2-methylhexan-3-one (CID 58593164) is 4-amino-5-hydroxy-2-methylhexan-3-one.
What is the SMILES notation for 4-amino-5-hydroxy-2-methylhexan-3-one?
The canonical SMILES for 4-amino-5-hydroxy-2-methylhexan-3-one is CC(C)C(=O)C(N)C(C)O.
What is the InChIKey of 4-amino-5-hydroxy-2-methylhexan-3-one?
The InChIKey is IWDOFHWXSJTLSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2/c1-4(2)7(10)6(8)5(3)9/h4-6,9H,8H2,1-3H3.
What are the key properties of 4-amino-5-hydroxy-2-methylhexan-3-one?
4-amino-5-hydroxy-2-methylhexan-3-one has a molecular weight of 145.20 g/mol, XLogP of -0.08, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-hydroxy-2-methylhexan-3-one is sourced from PubChem (CID 58593164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).