2-(methylamino)-4-oxobutanamide

C5H10N2O2 — CID 130181448

IUPAC2-(methylamino)-4-oxobutanamide
SMILESCNC(CC=O)C(N)=O
InChIInChI=1S/C5H10N2O2/c1-7-4(2-3-8)5(6)9/h3-4,7H,2H2,1H3,(H2,6,9)
InChIKeyJSTGTELSIYYCPW-UHFFFAOYSA-N
MW130.15 g/mol
LogP-1.35
Rot. Bonds4

About 2-(methylamino)-4-oxobutanamide

2-(methylamino)-4-oxobutanamide (PubChem CID 130181448) has the molecular formula C5H10N2O2 and a molecular weight of 130.15 g/mol. Its IUPAC name is 2-(methylamino)-4-oxobutanamide.

Molecular Properties

Compound Name2-(methylamino)-4-oxobutanamide
PubChem CID130181448
Molecular FormulaC5H10N2O2
Molecular Weight130.15 g/mol
Exact Mass130.07
IUPAC Name2-(methylamino)-4-oxobutanamide
SMILESCNC(CC=O)C(N)=O
InChIInChI=1S/C5H10N2O2/c1-7-4(2-3-8)5(6)9/h3-4,7H,2H2,1H3,(H2,6,9)
InChIKeyJSTGTELSIYYCPW-UHFFFAOYSA-N
XLogP-1.35
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.15
LogP ≤ 5-1.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethene;methyl 2-(methylamino)-4-oxobutanoate
CID 158257207
ethyl 2-(methylamino)-4-oxobutanoate
CID 145228105
2,5-bis(methylamino)hexanediamide
CID 66221520
3-hydroxy-2-(methylamino)propanamide
CID 14241499
(2S)-3-hydroxy-2-(methylamino)propanamide
CID 10486833
3-(methylamino)-4-methyliminopentanal
CID 118963322
2-(methylamino)-3-methylsulfanylpropanamide
CID 54146412
(2R)-4-methyl-2-(methylamino)pentanamide
CID 89050865
N',N'-diethyl-2-(methylamino)butanediamide
CID 12695982
ethane;methanamine;(2S)-2-(methylamino)pentanamide;octanal
CID 145435424
(3S)-3-hydroxy-3-(methylamino)propanal
CID 174657430
(2R)-2-methyl-4-oxobutanoic acid
CID 76936806

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-4-oxobutanamide?
The IUPAC name of 2-(methylamino)-4-oxobutanamide (CID 130181448) is 2-(methylamino)-4-oxobutanamide.
What is the SMILES notation for 2-(methylamino)-4-oxobutanamide?
The canonical SMILES for 2-(methylamino)-4-oxobutanamide is CNC(CC=O)C(N)=O.
What is the InChIKey of 2-(methylamino)-4-oxobutanamide?
The InChIKey is JSTGTELSIYYCPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O2/c1-7-4(2-3-8)5(6)9/h3-4,7H,2H2,1H3,(H2,6,9).
What are the key properties of 2-(methylamino)-4-oxobutanamide?
2-(methylamino)-4-oxobutanamide has a molecular weight of 130.15 g/mol, XLogP of -1.35, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-4-oxobutanamide is sourced from PubChem (CID 130181448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).