2-amino-3-oxopentanimidamide

C5H11N3O — CID 123490913

IUPAC2-amino-3-oxopentanimidamide
SMILES[H]/N=C(\N)C(N)C(=O)CC
InChIInChI=1S/C5H11N3O/c1-2-3(9)4(6)5(7)8/h4H,2,6H2,1H3,(H3,7,8)
InChIKeyMHXIYQPPVIBQHZ-UHFFFAOYSA-N
MW129.16 g/mol
LogP-0.77
Rot. Bonds3

About 2-amino-3-oxopentanimidamide

2-amino-3-oxopentanimidamide (PubChem CID 123490913) has the molecular formula C5H11N3O and a molecular weight of 129.16 g/mol. Its IUPAC name is 2-amino-3-oxopentanimidamide.

Molecular Properties

Compound Name2-amino-3-oxopentanimidamide
PubChem CID123490913
Molecular FormulaC5H11N3O
Molecular Weight129.16 g/mol
Exact Mass129.09
IUPAC Name2-amino-3-oxopentanimidamide
SMILES[H]/N=C(\N)C(N)C(=O)CC
InChIInChI=1S/C5H11N3O/c1-2-3(9)4(6)5(7)8/h4H,2,6H2,1H3,(H3,7,8)
InChIKeyMHXIYQPPVIBQHZ-UHFFFAOYSA-N
XLogP-0.77
TPSA92.96 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 5-0.77
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'}

Analyze 2-amino-3-oxopentanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-oxopentanimidamide?
The IUPAC name of 2-amino-3-oxopentanimidamide (CID 123490913) is 2-amino-3-oxopentanimidamide.
What is the SMILES notation for 2-amino-3-oxopentanimidamide?
The canonical SMILES for 2-amino-3-oxopentanimidamide is [H]/N=C(\N)C(N)C(=O)CC.
What is the InChIKey of 2-amino-3-oxopentanimidamide?
The InChIKey is MHXIYQPPVIBQHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N3O/c1-2-3(9)4(6)5(7)8/h4H,2,6H2,1H3,(H3,7,8).
What are the key properties of 2-amino-3-oxopentanimidamide?
2-amino-3-oxopentanimidamide has a molecular weight of 129.16 g/mol, XLogP of -0.77, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-oxopentanimidamide is sourced from PubChem (CID 123490913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).