2-methyl-4-(methylamino)-4-oxobutanoate

C6H10NO3- — CID 20617095

IUPAC2-methyl-4-(methylamino)-4-oxobutanoate
SMILESCNC(=O)CC(C)C(=O)[O-]
InChIInChI=1S/C6H11NO3/c1-4(6(9)10)3-5(8)7-2/h4H,3H2,1-2H3,(H,7,8)(H,9,10)/p-1
InChIKeyQXNIMKBZNNGWQU-UHFFFAOYSA-M
MW144.15 g/mol
LogP-1.49
Rot. Bonds3

About 2-methyl-4-(methylamino)-4-oxobutanoate

2-methyl-4-(methylamino)-4-oxobutanoate (PubChem CID 20617095) has the molecular formula C6H10NO3- and a molecular weight of 144.15 g/mol. Its IUPAC name is 2-methyl-4-(methylamino)-4-oxobutanoate.

Molecular Properties

Compound Name2-methyl-4-(methylamino)-4-oxobutanoate
PubChem CID20617095
Molecular FormulaC6H10NO3-
Molecular Weight144.15 g/mol
Exact Mass144.07
IUPAC Name2-methyl-4-(methylamino)-4-oxobutanoate
SMILESCNC(=O)CC(C)C(=O)[O-]
InChIInChI=1S/C6H11NO3/c1-4(6(9)10)3-5(8)7-2/h4H,3H2,1-2H3,(H,7,8)(H,9,10)/p-1
InChIKeyQXNIMKBZNNGWQU-UHFFFAOYSA-M
XLogP-1.49
TPSA69.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.15
LogP ≤ 5-1.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(methylamino)-4-oxobutanoate?
The IUPAC name of 2-methyl-4-(methylamino)-4-oxobutanoate (CID 20617095) is 2-methyl-4-(methylamino)-4-oxobutanoate.
What is the SMILES notation for 2-methyl-4-(methylamino)-4-oxobutanoate?
The canonical SMILES for 2-methyl-4-(methylamino)-4-oxobutanoate is CNC(=O)CC(C)C(=O)[O-].
What is the InChIKey of 2-methyl-4-(methylamino)-4-oxobutanoate?
The InChIKey is QXNIMKBZNNGWQU-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H11NO3/c1-4(6(9)10)3-5(8)7-2/h4H,3H2,1-2H3,(H,7,8)(H,9,10)/p-1.
What are the key properties of 2-methyl-4-(methylamino)-4-oxobutanoate?
2-methyl-4-(methylamino)-4-oxobutanoate has a molecular weight of 144.15 g/mol, XLogP of -1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(methylamino)-4-oxobutanoate is sourced from PubChem (CID 20617095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).