2-amino-1-hydroxy-5-methylhexan-3-one

C7H15NO2 — CID 116920589

IUPAC2-amino-1-hydroxy-5-methylhexan-3-one
SMILESCC(C)CC(=O)C(N)CO
InChIInChI=1S/C7H15NO2/c1-5(2)3-7(10)6(8)4-9/h5-6,9H,3-4,8H2,1-2H3
InChIKeyYFIMGFGYOWPNLW-UHFFFAOYSA-N
MW145.20 g/mol
LogP-0.08
Rot. Bonds4

About 2-amino-1-hydroxy-5-methylhexan-3-one

2-amino-1-hydroxy-5-methylhexan-3-one (PubChem CID 116920589) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is 2-amino-1-hydroxy-5-methylhexan-3-one.

Molecular Properties

Compound Name2-amino-1-hydroxy-5-methylhexan-3-one
PubChem CID116920589
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC Name2-amino-1-hydroxy-5-methylhexan-3-one
SMILESCC(C)CC(=O)C(N)CO
InChIInChI=1S/C7H15NO2/c1-5(2)3-7(10)6(8)4-9/h5-6,9H,3-4,8H2,1-2H3
InChIKeyYFIMGFGYOWPNLW-UHFFFAOYSA-N
XLogP-0.08
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
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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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-hydroxy-5-methylhexan-3-one?
The IUPAC name of 2-amino-1-hydroxy-5-methylhexan-3-one (CID 116920589) is 2-amino-1-hydroxy-5-methylhexan-3-one.
What is the SMILES notation for 2-amino-1-hydroxy-5-methylhexan-3-one?
The canonical SMILES for 2-amino-1-hydroxy-5-methylhexan-3-one is CC(C)CC(=O)C(N)CO.
What is the InChIKey of 2-amino-1-hydroxy-5-methylhexan-3-one?
The InChIKey is YFIMGFGYOWPNLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2/c1-5(2)3-7(10)6(8)4-9/h5-6,9H,3-4,8H2,1-2H3.
What are the key properties of 2-amino-1-hydroxy-5-methylhexan-3-one?
2-amino-1-hydroxy-5-methylhexan-3-one has a molecular weight of 145.20 g/mol, XLogP of -0.08, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-hydroxy-5-methylhexan-3-one is sourced from PubChem (CID 116920589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).