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

C5H10N2O3 — CID 20683623

IUPAC4-amino-3-(methylamino)-4-oxobutanoic acid
SMILESCNC(CC(=O)O)C(N)=O
InChIInChI=1S/C5H10N2O3/c1-7-3(5(6)10)2-4(8)9/h3,7H,2H2,1H3,(H2,6,10)(H,8,9)
InChIKeyXTPVBZQZTPYMMO-UHFFFAOYSA-N
MW146.15 g/mol
LogP-1.47
Rot. Bonds4

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

4-amino-3-(methylamino)-4-oxobutanoic acid (PubChem CID 20683623) has the molecular formula C5H10N2O3 and a molecular weight of 146.15 g/mol. Its IUPAC name is 4-amino-3-(methylamino)-4-oxobutanoic acid.

Molecular Properties

Compound Name4-amino-3-(methylamino)-4-oxobutanoic acid
PubChem CID20683623
Molecular FormulaC5H10N2O3
Molecular Weight146.15 g/mol
Exact Mass146.07
IUPAC Name4-amino-3-(methylamino)-4-oxobutanoic acid
SMILESCNC(CC(=O)O)C(N)=O
InChIInChI=1S/C5H10N2O3/c1-7-3(5(6)10)2-4(8)9/h3,7H,2H2,1H3,(H2,6,10)(H,8,9)
InChIKeyXTPVBZQZTPYMMO-UHFFFAOYSA-N
XLogP-1.47
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.15
LogP ≤ 5-1.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(methylamino)-4-oxobutanoic acid?
The IUPAC name of 4-amino-3-(methylamino)-4-oxobutanoic acid (CID 20683623) is 4-amino-3-(methylamino)-4-oxobutanoic acid.
What is the SMILES notation for 4-amino-3-(methylamino)-4-oxobutanoic acid?
The canonical SMILES for 4-amino-3-(methylamino)-4-oxobutanoic acid is CNC(CC(=O)O)C(N)=O.
What is the InChIKey of 4-amino-3-(methylamino)-4-oxobutanoic acid?
The InChIKey is XTPVBZQZTPYMMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O3/c1-7-3(5(6)10)2-4(8)9/h3,7H,2H2,1H3,(H2,6,10)(H,8,9).
What are the key properties of 4-amino-3-(methylamino)-4-oxobutanoic acid?
4-amino-3-(methylamino)-4-oxobutanoic acid has a molecular weight of 146.15 g/mol, XLogP of -1.47, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(methylamino)-4-oxobutanoic acid is sourced from PubChem (CID 20683623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).