3-methyl-4-(methylamino)-4-oxobutanoic acid

C6H11NO3 — CID 20586486

IUPAC3-methyl-4-(methylamino)-4-oxobutanoic acid
SMILESCNC(=O)C(C)CC(=O)O
InChIInChI=1S/C6H11NO3/c1-4(3-5(8)9)6(10)7-2/h4H,3H2,1-2H3,(H,7,10)(H,8,9)
InChIKeyZWSAQMOXRQTXJM-UHFFFAOYSA-N
MW145.16 g/mol
LogP-0.16
Rot. Bonds3

About 3-methyl-4-(methylamino)-4-oxobutanoic acid

3-methyl-4-(methylamino)-4-oxobutanoic acid (PubChem CID 20586486) has the molecular formula C6H11NO3 and a molecular weight of 145.16 g/mol. Its IUPAC name is 3-methyl-4-(methylamino)-4-oxobutanoic acid.

Molecular Properties

Compound Name3-methyl-4-(methylamino)-4-oxobutanoic acid
PubChem CID20586486
Molecular FormulaC6H11NO3
Molecular Weight145.16 g/mol
Exact Mass145.07
IUPAC Name3-methyl-4-(methylamino)-4-oxobutanoic acid
SMILESCNC(=O)C(C)CC(=O)O
InChIInChI=1S/C6H11NO3/c1-4(3-5(8)9)6(10)7-2/h4H,3H2,1-2H3,(H,7,10)(H,8,9)
InChIKeyZWSAQMOXRQTXJM-UHFFFAOYSA-N
XLogP-0.16
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(methylamino)-4-oxobutanoic acid?
The IUPAC name of 3-methyl-4-(methylamino)-4-oxobutanoic acid (CID 20586486) is 3-methyl-4-(methylamino)-4-oxobutanoic acid.
What is the SMILES notation for 3-methyl-4-(methylamino)-4-oxobutanoic acid?
The canonical SMILES for 3-methyl-4-(methylamino)-4-oxobutanoic acid is CNC(=O)C(C)CC(=O)O.
What is the InChIKey of 3-methyl-4-(methylamino)-4-oxobutanoic acid?
The InChIKey is ZWSAQMOXRQTXJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO3/c1-4(3-5(8)9)6(10)7-2/h4H,3H2,1-2H3,(H,7,10)(H,8,9).
What are the key properties of 3-methyl-4-(methylamino)-4-oxobutanoic acid?
3-methyl-4-(methylamino)-4-oxobutanoic acid has a molecular weight of 145.16 g/mol, XLogP of -0.16, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(methylamino)-4-oxobutanoic acid is sourced from PubChem (CID 20586486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).