[(2R)-3-methoxy-2-methyl-3-oxopropyl]azanium

C5H12NO2+ — CID 51704146

IUPAC[(2R)-3-methoxy-2-methyl-3-oxopropyl]azanium
SMILESCOC(=O)[C@H](C)C[NH3+]
InChIInChI=1S/C5H11NO2/c1-4(3-6)5(7)8-2/h4H,3,6H2,1-2H3/p+1/t4-/m1/s1
InChIKeyBXGDNKQFNQZCLG-SCSAIBSYSA-O
MW118.16 g/mol
LogP-0.96
Rot. Bonds2

About [(2R)-3-methoxy-2-methyl-3-oxopropyl]azanium

[(2R)-3-methoxy-2-methyl-3-oxopropyl]azanium (PubChem CID 51704146) has the molecular formula C5H12NO2+ and a molecular weight of 118.16 g/mol. Its IUPAC name is [(2R)-3-methoxy-2-methyl-3-oxopropyl]azanium.

Molecular Properties

Compound Name[(2R)-3-methoxy-2-methyl-3-oxopropyl]azanium
PubChem CID51704146
Molecular FormulaC5H12NO2+
Molecular Weight118.16 g/mol
Exact Mass118.09
IUPAC Name[(2R)-3-methoxy-2-methyl-3-oxopropyl]azanium
SMILESCOC(=O)[C@H](C)C[NH3+]
InChIInChI=1S/C5H11NO2/c1-4(3-6)5(7)8-2/h4H,3,6H2,1-2H3/p+1/t4-/m1/s1
InChIKeyBXGDNKQFNQZCLG-SCSAIBSYSA-O
XLogP-0.96
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.16
LogP ≤ 5-0.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;methyl (2R)-2-methylbutanoate
CID 143689114
5-methoxy-4-methyl-2,5-dioxopentanoic acid
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methyl (2S)-4-amino-2-methylpentanoate
CID 88911479
methyl (2S)-3-bromo-2-methylpropanoate;zinc
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zinc methyl (2R)-3-bromo-2-methylpropanoate
CID 175736425
dimethyl (2S,7S)-2,7-dimethyloct-4-ynedioate
CID 163588468
methyl 4-iodo-2-methylbutanoate
CID 71420285
CID 58391087
CID 58391087
methyl (2S)-2,4,4-trimethylpentanoate
CID 87851935
methyl 3-(methoxyamino)-2-methylpropanoate
CID 60702587
methyl 2-methylbutanoate;methyl 2-methylpropanoate
CID 175395072
methyl (2R,5S)-2-methyl-5-nitrohexanoate
CID 94036642

Frequently Asked Questions

What is the IUPAC name of [(2R)-3-methoxy-2-methyl-3-oxopropyl]azanium?
The IUPAC name of [(2R)-3-methoxy-2-methyl-3-oxopropyl]azanium (CID 51704146) is [(2R)-3-methoxy-2-methyl-3-oxopropyl]azanium.
What is the SMILES notation for [(2R)-3-methoxy-2-methyl-3-oxopropyl]azanium?
The canonical SMILES for [(2R)-3-methoxy-2-methyl-3-oxopropyl]azanium is COC(=O)[C@H](C)C[NH3+].
What is the InChIKey of [(2R)-3-methoxy-2-methyl-3-oxopropyl]azanium?
The InChIKey is BXGDNKQFNQZCLG-SCSAIBSYSA-O. The full InChI is InChI=1S/C5H11NO2/c1-4(3-6)5(7)8-2/h4H,3,6H2,1-2H3/p+1/t4-/m1/s1.
What are the key properties of [(2R)-3-methoxy-2-methyl-3-oxopropyl]azanium?
[(2R)-3-methoxy-2-methyl-3-oxopropyl]azanium has a molecular weight of 118.16 g/mol, XLogP of -0.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-3-methoxy-2-methyl-3-oxopropyl]azanium is sourced from PubChem (CID 51704146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).