[(3R)-1-hydroxy-5-methyl-2-oxohexan-3-yl]azanium chloride

C7H16ClNO2 — CID 11446703

IUPAC[(3R)-1-hydroxy-5-methyl-2-oxohexan-3-yl]azanium chloride
SMILESCC(C)C[C@@H]([NH3+])C(=O)CO.[Cl-]
InChIInChI=1S/C7H15NO2.ClH/c1-5(2)3-6(8)7(10)4-9;/h5-6,9H,3-4,8H2,1-2H3;1H/t6-;/m1./s1
InChIKeyKGIAFLBYTHACQI-FYZOBXCZSA-N
MW181.66 g/mol
LogP-3.79
Rot. Bonds4

About [(3R)-1-hydroxy-5-methyl-2-oxohexan-3-yl]azanium chloride

[(3R)-1-hydroxy-5-methyl-2-oxohexan-3-yl]azanium chloride (PubChem CID 11446703) has the molecular formula C7H16ClNO2 and a molecular weight of 181.66 g/mol. Its IUPAC name is [(3R)-1-hydroxy-5-methyl-2-oxohexan-3-yl]azanium chloride.

Molecular Properties

Compound Name[(3R)-1-hydroxy-5-methyl-2-oxohexan-3-yl]azanium chloride
PubChem CID11446703
Molecular FormulaC7H16ClNO2
Molecular Weight181.66 g/mol
Exact Mass181.09
IUPAC Name[(3R)-1-hydroxy-5-methyl-2-oxohexan-3-yl]azanium chloride
SMILESCC(C)C[C@@H]([NH3+])C(=O)CO.[Cl-]
InChIInChI=1S/C7H15NO2.ClH/c1-5(2)3-6(8)7(10)4-9;/h5-6,9H,3-4,8H2,1-2H3;1H/t6-;/m1./s1
InChIKeyKGIAFLBYTHACQI-FYZOBXCZSA-N
XLogP-3.79
TPSA64.94 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.66
LogP ≤ 5-3.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]azanium
CID 7271814
(3S)-3-amino-1-hydroxy-5-methylhexan-2-one
CID 52947679
[(2S)-1-ethoxy-4-methyl-1-oxopentan-2-yl]azanium
CID 6994014
[(1S)-1-carboxy-3-methylbutyl]azanium nitrate
CID 139067720
[(2S)-4-methylpentan-2-yl]azanium
CID 6994057
[(2R)-1-hydroxy-4-methylpentan-2-yl]azanium
CID 6950465
(3R,4S)-1,3,4-trihydroxypentan-2-one
CID 101111958
1,4-dihydroxy-3-methylpentan-2-one
CID 13081578
(3S)-3-azaniumyl-5-methylhexanoate
CID 6934241
(3R)-3,5-dimethylhexan-2-ol;propan-2-one
CID 143641671
2,8-dimethyl-4,6-bis(2-methylpropyl)nonan-5-one
CID 174839184
(2S)-2-amino-4-methylpentanoic acid;2-hydroxyacetic acid
CID 160585227

Frequently Asked Questions

What is the IUPAC name of [(3R)-1-hydroxy-5-methyl-2-oxohexan-3-yl]azanium chloride?
The IUPAC name of [(3R)-1-hydroxy-5-methyl-2-oxohexan-3-yl]azanium chloride (CID 11446703) is [(3R)-1-hydroxy-5-methyl-2-oxohexan-3-yl]azanium chloride.
What is the SMILES notation for [(3R)-1-hydroxy-5-methyl-2-oxohexan-3-yl]azanium chloride?
The canonical SMILES for [(3R)-1-hydroxy-5-methyl-2-oxohexan-3-yl]azanium chloride is CC(C)C[C@@H]([NH3+])C(=O)CO.[Cl-].
What is the InChIKey of [(3R)-1-hydroxy-5-methyl-2-oxohexan-3-yl]azanium chloride?
The InChIKey is KGIAFLBYTHACQI-FYZOBXCZSA-N. The full InChI is InChI=1S/C7H15NO2.ClH/c1-5(2)3-6(8)7(10)4-9;/h5-6,9H,3-4,8H2,1-2H3;1H/t6-;/m1./s1.
What are the key properties of [(3R)-1-hydroxy-5-methyl-2-oxohexan-3-yl]azanium chloride?
[(3R)-1-hydroxy-5-methyl-2-oxohexan-3-yl]azanium chloride has a molecular weight of 181.66 g/mol, XLogP of -3.79, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-hydroxy-5-methyl-2-oxohexan-3-yl]azanium chloride is sourced from PubChem (CID 11446703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).