2-amino-3-oxobutanamide

C4H8N2O2 — CID 11446307

IUPAC2-amino-3-oxobutanamide
SMILESCC(=O)C(N)C(N)=O
InChIInChI=1S/C4H8N2O2/c1-2(7)3(5)4(6)8/h3H,5H2,1H3,(H2,6,8)
InChIKeyISTGRUKCYILABE-UHFFFAOYSA-N
MW116.12 g/mol
LogP-1.61
Rot. Bonds2

About 2-amino-3-oxobutanamide

2-amino-3-oxobutanamide (PubChem CID 11446307) has the molecular formula C4H8N2O2 and a molecular weight of 116.12 g/mol. Its IUPAC name is 2-amino-3-oxobutanamide.

Molecular Properties

Compound Name2-amino-3-oxobutanamide
PubChem CID11446307
Molecular FormulaC4H8N2O2
Molecular Weight116.12 g/mol
Exact Mass116.06
IUPAC Name2-amino-3-oxobutanamide
SMILESCC(=O)C(N)C(N)=O
InChIInChI=1S/C4H8N2O2/c1-2(7)3(5)4(6)8/h3H,5H2,1H3,(H2,6,8)
InChIKeyISTGRUKCYILABE-UHFFFAOYSA-N
XLogP-1.61
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
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': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-oxobutanamide?
The IUPAC name of 2-amino-3-oxobutanamide (CID 11446307) is 2-amino-3-oxobutanamide.
What is the SMILES notation for 2-amino-3-oxobutanamide?
The canonical SMILES for 2-amino-3-oxobutanamide is CC(=O)C(N)C(N)=O.
What is the InChIKey of 2-amino-3-oxobutanamide?
The InChIKey is ISTGRUKCYILABE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2O2/c1-2(7)3(5)4(6)8/h3H,5H2,1H3,(H2,6,8).
What are the key properties of 2-amino-3-oxobutanamide?
2-amino-3-oxobutanamide has a molecular weight of 116.12 g/mol, XLogP of -1.61, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-oxobutanamide is sourced from PubChem (CID 11446307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).