[(2S,3S)-1-amino-3-methyl-1-oxopentan-2-yl]azanium chloride

C6H15ClN2O — CID 139063739

IUPAC[(2S,3S)-1-amino-3-methyl-1-oxopentan-2-yl]azanium chloride
SMILESCC[C@H](C)[C@H]([NH3+])C(N)=O.[Cl-]
InChIInChI=1S/C6H14N2O.ClH/c1-3-4(2)5(7)6(8)9;/h4-5H,3,7H2,1-2H3,(H2,8,9);1H/t4-,5-;/m0./s1
InChIKeySAOZPTBFWAEJQL-FHAQVOQBSA-N
MW166.65 g/mol
LogP-3.87
Rot. Bonds3

About [(2S,3S)-1-amino-3-methyl-1-oxopentan-2-yl]azanium chloride

[(2S,3S)-1-amino-3-methyl-1-oxopentan-2-yl]azanium chloride (PubChem CID 139063739) has the molecular formula C6H15ClN2O and a molecular weight of 166.65 g/mol. Its IUPAC name is [(2S,3S)-1-amino-3-methyl-1-oxopentan-2-yl]azanium chloride.

Molecular Properties

Compound Name[(2S,3S)-1-amino-3-methyl-1-oxopentan-2-yl]azanium chloride
PubChem CID139063739
Molecular FormulaC6H15ClN2O
Molecular Weight166.65 g/mol
Exact Mass166.09
IUPAC Name[(2S,3S)-1-amino-3-methyl-1-oxopentan-2-yl]azanium chloride
SMILESCC[C@H](C)[C@H]([NH3+])C(N)=O.[Cl-]
InChIInChI=1S/C6H14N2O.ClH/c1-3-4(2)5(7)6(8)9;/h4-5H,3,7H2,1-2H3,(H2,8,9);1H/t4-,5-;/m0./s1
InChIKeySAOZPTBFWAEJQL-FHAQVOQBSA-N
XLogP-3.87
TPSA70.73 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.65
LogP ≤ 5-3.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

(2R,3R)-2,3-dimethylpentanamide
CID 170847775
(1-amino-3-methyl-1-oxopentan-2-yl) carbamate
CID 174514155
2,3-dimethylpentanamide;hydroxylamine
CID 88699485
(2S)-2-amino-3-methylpentanamide
CID 10290817
(3S)-2-amino-3-methylpentanamide;sulfane
CID 159517895
2-amino-3-methylpentanamide;2,3-dimethylbutane
CID 22928550
2-amino-3,4-dimethylhexanamide
CID 131230677
2-butan-2-ylbutanediamide
CID 87535883
(2S,3S)-2-acetamido-3-methylpentanamide
CID 6950966
(2S,3S)-3-methyl-2-(2-oxopropyl)pentanamide
CID 58071164
2-butan-2-yl-5-methylhexanamide
CID 174491174
methane;2-methylbutanamide
CID 158835184

Frequently Asked Questions

What is the IUPAC name of [(2S,3S)-1-amino-3-methyl-1-oxopentan-2-yl]azanium chloride?
The IUPAC name of [(2S,3S)-1-amino-3-methyl-1-oxopentan-2-yl]azanium chloride (CID 139063739) is [(2S,3S)-1-amino-3-methyl-1-oxopentan-2-yl]azanium chloride.
What is the SMILES notation for [(2S,3S)-1-amino-3-methyl-1-oxopentan-2-yl]azanium chloride?
The canonical SMILES for [(2S,3S)-1-amino-3-methyl-1-oxopentan-2-yl]azanium chloride is CC[C@H](C)[C@H]([NH3+])C(N)=O.[Cl-].
What is the InChIKey of [(2S,3S)-1-amino-3-methyl-1-oxopentan-2-yl]azanium chloride?
The InChIKey is SAOZPTBFWAEJQL-FHAQVOQBSA-N. The full InChI is InChI=1S/C6H14N2O.ClH/c1-3-4(2)5(7)6(8)9;/h4-5H,3,7H2,1-2H3,(H2,8,9);1H/t4-,5-;/m0./s1.
What are the key properties of [(2S,3S)-1-amino-3-methyl-1-oxopentan-2-yl]azanium chloride?
[(2S,3S)-1-amino-3-methyl-1-oxopentan-2-yl]azanium chloride has a molecular weight of 166.65 g/mol, XLogP of -3.87, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3S)-1-amino-3-methyl-1-oxopentan-2-yl]azanium chloride is sourced from PubChem (CID 139063739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).