(3S)-3-amino-2-oxobutanamide

C4H8N2O2 — CID 23525136

IUPAC(3S)-3-amino-2-oxobutanamide
SMILESC[C@H](N)C(=O)C(N)=O
InChIInChI=1S/C4H8N2O2/c1-2(5)3(7)4(6)8/h2H,5H2,1H3,(H2,6,8)/t2-/m0/s1
InChIKeyHCAOTTZRNHIQOD-REOHCLBHSA-N
MW116.12 g/mol
LogP-1.61
Rot. Bonds2

About (3S)-3-amino-2-oxobutanamide

(3S)-3-amino-2-oxobutanamide (PubChem CID 23525136) has the molecular formula C4H8N2O2 and a molecular weight of 116.12 g/mol. Its IUPAC name is (3S)-3-amino-2-oxobutanamide.

Molecular Properties

Compound Name(3S)-3-amino-2-oxobutanamide
PubChem CID23525136
Molecular FormulaC4H8N2O2
Molecular Weight116.12 g/mol
Exact Mass116.06
IUPAC Name(3S)-3-amino-2-oxobutanamide
SMILESC[C@H](N)C(=O)C(N)=O
InChIInChI=1S/C4H8N2O2/c1-2(5)3(7)4(6)8/h2H,5H2,1H3,(H2,6,8)/t2-/m0/s1
InChIKeyHCAOTTZRNHIQOD-REOHCLBHSA-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': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-2-oxobutanamide?
The IUPAC name of (3S)-3-amino-2-oxobutanamide (CID 23525136) is (3S)-3-amino-2-oxobutanamide.
What is the SMILES notation for (3S)-3-amino-2-oxobutanamide?
The canonical SMILES for (3S)-3-amino-2-oxobutanamide is C[C@H](N)C(=O)C(N)=O.
What is the InChIKey of (3S)-3-amino-2-oxobutanamide?
The InChIKey is HCAOTTZRNHIQOD-REOHCLBHSA-N. The full InChI is InChI=1S/C4H8N2O2/c1-2(5)3(7)4(6)8/h2H,5H2,1H3,(H2,6,8)/t2-/m0/s1.
What are the key properties of (3S)-3-amino-2-oxobutanamide?
(3S)-3-amino-2-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 (3S)-3-amino-2-oxobutanamide is sourced from PubChem (CID 23525136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).