methyl 4-amino-2-methyl-4-oxobutanoate

C6H11NO3 — CID 11768702

IUPACmethyl 4-amino-2-methyl-4-oxobutanoate
SMILESCOC(=O)C(C)CC(N)=O
InChIInChI=1S/C6H11NO3/c1-4(3-5(7)8)6(9)10-2/h4H,3H2,1-2H3,(H2,7,8)
InChIKeyWMSVGGWTPOETNS-UHFFFAOYSA-N
MW145.16 g/mol
LogP-0.33
Rot. Bonds3

About methyl 4-amino-2-methyl-4-oxobutanoate

methyl 4-amino-2-methyl-4-oxobutanoate (PubChem CID 11768702) has the molecular formula C6H11NO3 and a molecular weight of 145.16 g/mol. Its IUPAC name is methyl 4-amino-2-methyl-4-oxobutanoate.

Molecular Properties

Compound Namemethyl 4-amino-2-methyl-4-oxobutanoate
PubChem CID11768702
Molecular FormulaC6H11NO3
Molecular Weight145.16 g/mol
Exact Mass145.07
IUPAC Namemethyl 4-amino-2-methyl-4-oxobutanoate
SMILESCOC(=O)C(C)CC(N)=O
InChIInChI=1S/C6H11NO3/c1-4(3-5(7)8)6(9)10-2/h4H,3H2,1-2H3,(H2,7,8)
InChIKeyWMSVGGWTPOETNS-UHFFFAOYSA-N
XLogP-0.33
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 5-0.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-2-methyl-4-oxobutanoate?
The IUPAC name of methyl 4-amino-2-methyl-4-oxobutanoate (CID 11768702) is methyl 4-amino-2-methyl-4-oxobutanoate.
What is the SMILES notation for methyl 4-amino-2-methyl-4-oxobutanoate?
The canonical SMILES for methyl 4-amino-2-methyl-4-oxobutanoate is COC(=O)C(C)CC(N)=O.
What is the InChIKey of methyl 4-amino-2-methyl-4-oxobutanoate?
The InChIKey is WMSVGGWTPOETNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO3/c1-4(3-5(7)8)6(9)10-2/h4H,3H2,1-2H3,(H2,7,8).
What are the key properties of methyl 4-amino-2-methyl-4-oxobutanoate?
methyl 4-amino-2-methyl-4-oxobutanoate has a molecular weight of 145.16 g/mol, XLogP of -0.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-2-methyl-4-oxobutanoate is sourced from PubChem (CID 11768702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).