4-formamido-2-methyl-4-oxobutanoic acid

C6H9NO4 — CID 169139394

IUPAC4-formamido-2-methyl-4-oxobutanoic acid
SMILESCC(CC(=O)NC=O)C(=O)O
InChIInChI=1S/C6H9NO4/c1-4(6(10)11)2-5(9)7-3-8/h3-4H,2H2,1H3,(H,10,11)(H,7,8,9)
InChIKeyMIZFERICGRWVNH-UHFFFAOYSA-N
MW159.14 g/mol
LogP-0.63
Rot. Bonds4

About 4-formamido-2-methyl-4-oxobutanoic acid

4-formamido-2-methyl-4-oxobutanoic acid (PubChem CID 169139394) has the molecular formula C6H9NO4 and a molecular weight of 159.14 g/mol. Its IUPAC name is 4-formamido-2-methyl-4-oxobutanoic acid.

Molecular Properties

Compound Name4-formamido-2-methyl-4-oxobutanoic acid
PubChem CID169139394
Molecular FormulaC6H9NO4
Molecular Weight159.14 g/mol
Exact Mass159.05
IUPAC Name4-formamido-2-methyl-4-oxobutanoic acid
SMILESCC(CC(=O)NC=O)C(=O)O
InChIInChI=1S/C6H9NO4/c1-4(6(10)11)2-5(9)7-3-8/h3-4H,2H2,1H3,(H,10,11)(H,7,8,9)
InChIKeyMIZFERICGRWVNH-UHFFFAOYSA-N
XLogP-0.63
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.14
LogP ≤ 5-0.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 4-formamido-2-methyl-4-oxobutanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-amino-4-formamido-4-oxobutanoic acid
CID 131868745
4-(carbamoylamino)-2-methyl-4-oxobutanoic acid
CID 59595785
2,6-dimethyl-4-oxoheptanedioic acid
CID 19810818
(2R)-4-(formylcarbamoylamino)-2,4-dimethylpentanoic acid
CID 166781014
(2S)-2-amino-5-formamido-5-oxopentanoic acid
CID 54145415
(2S)-2-methyl-4-oxopentanoic acid
CID 10942448
(2R)-4-methoxy-2-methyl-4-oxobutanoic acid
CID 6398856
4-amino-N-formylpentanamide
CID 143583899
(2R)-2-methyl-4-oxobutanoic acid
CID 76936806
7-methoxy-2,6-dimethyl-4,7-dioxoheptanoic acid
CID 19860300
(2R,5S)-2-methyl-5-(methylamino)-4-oxohexanoic acid
CID 59111463
(2S)-5-amino-2-methyl-4-oxopentanoic acid
CID 122518877

Frequently Asked Questions

What is the IUPAC name of 4-formamido-2-methyl-4-oxobutanoic acid?
The IUPAC name of 4-formamido-2-methyl-4-oxobutanoic acid (CID 169139394) is 4-formamido-2-methyl-4-oxobutanoic acid.
What is the SMILES notation for 4-formamido-2-methyl-4-oxobutanoic acid?
The canonical SMILES for 4-formamido-2-methyl-4-oxobutanoic acid is CC(CC(=O)NC=O)C(=O)O.
What is the InChIKey of 4-formamido-2-methyl-4-oxobutanoic acid?
The InChIKey is MIZFERICGRWVNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO4/c1-4(6(10)11)2-5(9)7-3-8/h3-4H,2H2,1H3,(H,10,11)(H,7,8,9).
What are the key properties of 4-formamido-2-methyl-4-oxobutanoic acid?
4-formamido-2-methyl-4-oxobutanoic acid has a molecular weight of 159.14 g/mol, XLogP of -0.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-formamido-2-methyl-4-oxobutanoic acid is sourced from PubChem (CID 169139394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).