(3S)-3-amino-1-hydroxy-5-methylhexan-2-one

C7H15NO2 — CID 52947679

IUPAC(3S)-3-amino-1-hydroxy-5-methylhexan-2-one
SMILESCC(C)C[C@H](N)C(=O)CO
InChIInChI=1S/C7H15NO2/c1-5(2)3-6(8)7(10)4-9/h5-6,9H,3-4,8H2,1-2H3/t6-/m0/s1
InChIKeyVEROGSXUMLPXMN-LURJTMIESA-N
MW145.20 g/mol
LogP-0.08
Rot. Bonds4

About (3S)-3-amino-1-hydroxy-5-methylhexan-2-one

(3S)-3-amino-1-hydroxy-5-methylhexan-2-one (PubChem CID 52947679) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is (3S)-3-amino-1-hydroxy-5-methylhexan-2-one.

Molecular Properties

Compound Name(3S)-3-amino-1-hydroxy-5-methylhexan-2-one
PubChem CID52947679
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC Name(3S)-3-amino-1-hydroxy-5-methylhexan-2-one
SMILESCC(C)C[C@H](N)C(=O)CO
InChIInChI=1S/C7H15NO2/c1-5(2)3-6(8)7(10)4-9/h5-6,9H,3-4,8H2,1-2H3/t6-/m0/s1
InChIKeyVEROGSXUMLPXMN-LURJTMIESA-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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Related Compounds

(2S)-2-amino-4-methylpentanoic acid;hydrazine
CID 160824424
(2S)-2-amino-4-methylpentanoic acid;2-hydroxyacetic acid
CID 160585227
(4S,7S)-4,7-diamino-2,9-dimethyldecane-5,6-dione
CID 57076326
(2S)-2-(15N)azanyl-4-methyl(213C)pentanoic acid
CID 71309151
(2S)-2-amino-4-methylpentanoyl iodide
CID 126568368
2-amino-4-methylpentanoic acid;chromium
CID 88640601
(2S)-2-amino-4-methylpentanoic acid;cerium
CID 86698944
CID 6369563
CID 6369563
2-amino-4-methylpentanoate
CID 157437742
4-amino-2-methyltetradecan-5-one
CID 116553430
(4S)-4,23-diamino-2-methyltricosan-5-one
CID 150736114
(2S)-2-amino-4-methylpentanoate;iron(3+)
CID 172736256

Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-1-hydroxy-5-methylhexan-2-one?
The IUPAC name of (3S)-3-amino-1-hydroxy-5-methylhexan-2-one (CID 52947679) is (3S)-3-amino-1-hydroxy-5-methylhexan-2-one.
What is the SMILES notation for (3S)-3-amino-1-hydroxy-5-methylhexan-2-one?
The canonical SMILES for (3S)-3-amino-1-hydroxy-5-methylhexan-2-one is CC(C)C[C@H](N)C(=O)CO.
What is the InChIKey of (3S)-3-amino-1-hydroxy-5-methylhexan-2-one?
The InChIKey is VEROGSXUMLPXMN-LURJTMIESA-N. The full InChI is InChI=1S/C7H15NO2/c1-5(2)3-6(8)7(10)4-9/h5-6,9H,3-4,8H2,1-2H3/t6-/m0/s1.
What are the key properties of (3S)-3-amino-1-hydroxy-5-methylhexan-2-one?
(3S)-3-amino-1-hydroxy-5-methylhexan-2-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 (3S)-3-amino-1-hydroxy-5-methylhexan-2-one is sourced from PubChem (CID 52947679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).