3-amino-2-oxobutanimidamide

C4H9N3O — CID 140996004

IUPAC3-amino-2-oxobutanimidamide
SMILES[H]/N=C(\N)C(=O)C(C)N
InChIInChI=1S/C4H9N3O/c1-2(5)3(8)4(6)7/h2H,5H2,1H3,(H3,6,7)
InChIKeyLUWZEFSWTSYKPN-UHFFFAOYSA-N
MW115.14 g/mol
LogP-1.16
Rot. Bonds2

About 3-amino-2-oxobutanimidamide

3-amino-2-oxobutanimidamide (PubChem CID 140996004) has the molecular formula C4H9N3O and a molecular weight of 115.14 g/mol. Its IUPAC name is 3-amino-2-oxobutanimidamide.

Molecular Properties

Compound Name3-amino-2-oxobutanimidamide
PubChem CID140996004
Molecular FormulaC4H9N3O
Molecular Weight115.14 g/mol
Exact Mass115.07
IUPAC Name3-amino-2-oxobutanimidamide
SMILES[H]/N=C(\N)C(=O)C(C)N
InChIInChI=1S/C4H9N3O/c1-2(5)3(8)4(6)7/h2H,5H2,1H3,(H3,6,7)
InChIKeyLUWZEFSWTSYKPN-UHFFFAOYSA-N
XLogP-1.16
TPSA92.96 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.14
LogP ≤ 5-1.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-oxobutanimidamide?
The IUPAC name of 3-amino-2-oxobutanimidamide (CID 140996004) is 3-amino-2-oxobutanimidamide.
What is the SMILES notation for 3-amino-2-oxobutanimidamide?
The canonical SMILES for 3-amino-2-oxobutanimidamide is [H]/N=C(\N)C(=O)C(C)N.
What is the InChIKey of 3-amino-2-oxobutanimidamide?
The InChIKey is LUWZEFSWTSYKPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9N3O/c1-2(5)3(8)4(6)7/h2H,5H2,1H3,(H3,6,7).
What are the key properties of 3-amino-2-oxobutanimidamide?
3-amino-2-oxobutanimidamide has a molecular weight of 115.14 g/mol, XLogP of -1.16, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-oxobutanimidamide is sourced from PubChem (CID 140996004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).