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

C6H14ClNO2 — CID 11041097

IUPAC[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl]azanium chloride
SMILESCOC(=O)[C@@H]([NH3+])C(C)C.[Cl-]
InChIInChI=1S/C6H13NO2.ClH/c1-4(2)5(7)6(8)9-3;/h4-5H,7H2,1-3H3;1H/t5-;/m0./s1
InChIKeyKUGLDBMQKZTXPW-JEDNCBNOSA-N
MW167.64 g/mol
LogP-3.57
Rot. Bonds2

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

[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl]azanium chloride (PubChem CID 11041097) has the molecular formula C6H14ClNO2 and a molecular weight of 167.64 g/mol. Its IUPAC name is [(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl]azanium chloride.

Molecular Properties

Compound Name[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl]azanium chloride
PubChem CID11041097
Molecular FormulaC6H14ClNO2
Molecular Weight167.64 g/mol
Exact Mass167.07
IUPAC Name[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl]azanium chloride
SMILESCOC(=O)[C@@H]([NH3+])C(C)C.[Cl-]
InChIInChI=1S/C6H13NO2.ClH/c1-4(2)5(7)6(8)9-3;/h4-5H,7H2,1-3H3;1H/t5-;/m0./s1
InChIKeyKUGLDBMQKZTXPW-JEDNCBNOSA-N
XLogP-3.57
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.64
LogP ≤ 5-3.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl]azanium
CID 2305646
(1-methoxy-1-oxopropan-2-yl)azanium chloride
CID 10931506
methyl 2-amino-3-methylbutanoate chloride
CID 3083912
methyl (2R)-2-hydroxypropanoate;methyl (2S)-2-hydroxypropanoate
CID 76960533
methyl 2-methylpropanoate;titanium
CID 174633551
methyl 2-aminopropanoate
CID 159707893
[(2R)-3-[[(2R)-2-azaniumyl-3-methoxy-3-oxopropyl]disulfanyl]-1-methoxy-1-oxopropan-2-yl]azanium dichloride
CID 11089122
methyl 3,3,3-trihydroxy-2-methylpropanoate
CID 174825227
[(2R)-1-[(2R)-2-hydroxybutoxy]-3-methyl-1-oxobutan-2-yl]azanium
CID 140587514
3-O-methoxycarbonyl 1-O-methyl 2-methylpropanedioate
CID 135375113
methyl 2-hydrazinyl-3-methylbutanoate
CID 55279143
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 chloride?
The IUPAC name of [(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl]azanium chloride (CID 11041097) is [(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl]azanium chloride.
What is the SMILES notation for [(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl]azanium chloride?
The canonical SMILES for [(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl]azanium chloride is COC(=O)[C@@H]([NH3+])C(C)C.[Cl-].
What is the InChIKey of [(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl]azanium chloride?
The InChIKey is KUGLDBMQKZTXPW-JEDNCBNOSA-N. The full InChI is InChI=1S/C6H13NO2.ClH/c1-4(2)5(7)6(8)9-3;/h4-5H,7H2,1-3H3;1H/t5-;/m0./s1.
What are the key properties of [(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl]azanium chloride?
[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl]azanium chloride has a molecular weight of 167.64 g/mol, XLogP of -3.57, 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 chloride is sourced from PubChem (CID 11041097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).