[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl]azanium

C6H14NO2+ — CID 2305646

IUPAC[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl]azanium
SMILESCOC(=O)[C@@H]([NH3+])C(C)C
InChIInChI=1S/C6H13NO2/c1-4(2)5(7)6(8)9-3/h4-5H,7H2,1-3H3/p+1/t5-/m0/s1
InChIKeyCEMZBWPSKYISTN-YFKPBYRVSA-O
MW132.18 g/mol
LogP-0.57
Rot. Bonds2

About [(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl]azanium

[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl]azanium (PubChem CID 2305646) has the molecular formula C6H14NO2+ and a molecular weight of 132.18 g/mol. Its IUPAC name is [(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl]azanium.

Molecular Properties

Compound Name[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl]azanium
PubChem CID2305646
Molecular FormulaC6H14NO2+
Molecular Weight132.18 g/mol
Exact Mass132.10
IUPAC Name[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl]azanium
SMILESCOC(=O)[C@@H]([NH3+])C(C)C
InChIInChI=1S/C6H13NO2/c1-4(2)5(7)6(8)9-3/h4-5H,7H2,1-3H3/p+1/t5-/m0/s1
InChIKeyCEMZBWPSKYISTN-YFKPBYRVSA-O
XLogP-0.57
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.18
LogP ≤ 5-0.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl]azanium chloride
CID 11041097
(1-methoxy-1-oxopropan-2-yl)azanium chloride
CID 10931506
methyl (2R)-2-hydroxypropanoate;methyl (2S)-2-hydroxypropanoate
CID 76960533
methyl 2-methylpropanoate;titanium
CID 174633551
methyl 2-aminopropanoate
CID 159707893
methyl 2-amino-3-methylbutanoate chloride
CID 3083912
methyl 3,3,3-trihydroxy-2-methylpropanoate
CID 174825227
[(2R)-1-[(2R)-2-hydroxybutoxy]-3-methyl-1-oxobutan-2-yl]azanium
CID 140587514
methyl 2-hydrazinyl-3-methylbutanoate
CID 55279143
3-O-methoxycarbonyl 1-O-methyl 2-methylpropanedioate
CID 135375113
[(2R)-3-methoxy-2-methyl-3-oxopropyl]azanium
CID 51704146
ethane;methyl (2R)-2-methylbutanoate
CID 143689114

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl]azanium?
The IUPAC name of [(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl]azanium (CID 2305646) is [(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl]azanium.
What is the SMILES notation for [(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl]azanium?
The canonical SMILES for [(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl]azanium is COC(=O)[C@@H]([NH3+])C(C)C.
What is the InChIKey of [(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl]azanium?
The InChIKey is CEMZBWPSKYISTN-YFKPBYRVSA-O. The full InChI is InChI=1S/C6H13NO2/c1-4(2)5(7)6(8)9-3/h4-5H,7H2,1-3H3/p+1/t5-/m0/s1.
What are the key properties of [(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl]azanium?
[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl]azanium has a molecular weight of 132.18 g/mol, XLogP of -0.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl]azanium is sourced from PubChem (CID 2305646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).