3-amino-4-oxobutanamide

C4H8N2O2 — CID 22284063

IUPAC3-amino-4-oxobutanamide
SMILESNC(=O)CC(N)C=O
InChIInChI=1S/C4H8N2O2/c5-3(2-7)1-4(6)8/h2-3H,1,5H2,(H2,6,8)
InChIKeyFVRHIJPPPSYMGI-UHFFFAOYSA-N
MW116.12 g/mol
LogP-1.61
Rot. Bonds3

About 3-amino-4-oxobutanamide

3-amino-4-oxobutanamide (PubChem CID 22284063) has the molecular formula C4H8N2O2 and a molecular weight of 116.12 g/mol. Its IUPAC name is 3-amino-4-oxobutanamide.

Molecular Properties

Compound Name3-amino-4-oxobutanamide
PubChem CID22284063
Molecular FormulaC4H8N2O2
Molecular Weight116.12 g/mol
Exact Mass116.06
IUPAC Name3-amino-4-oxobutanamide
SMILESNC(=O)CC(N)C=O
InChIInChI=1S/C4H8N2O2/c5-3(2-7)1-4(6)8/h2-3H,1,5H2,(H2,6,8)
InChIKeyFVRHIJPPPSYMGI-UHFFFAOYSA-N
XLogP-1.61
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.12
LogP ≤ 5-1.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-amino-4-oxobutanamide?
The IUPAC name of 3-amino-4-oxobutanamide (CID 22284063) is 3-amino-4-oxobutanamide.
What is the SMILES notation for 3-amino-4-oxobutanamide?
The canonical SMILES for 3-amino-4-oxobutanamide is NC(=O)CC(N)C=O.
What is the InChIKey of 3-amino-4-oxobutanamide?
The InChIKey is FVRHIJPPPSYMGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2O2/c5-3(2-7)1-4(6)8/h2-3H,1,5H2,(H2,6,8).
What are the key properties of 3-amino-4-oxobutanamide?
3-amino-4-oxobutanamide has a molecular weight of 116.12 g/mol, XLogP of -1.61, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-oxobutanamide is sourced from PubChem (CID 22284063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).