2-amino-2-ethenylpentanediamide

C7H13N3O2 — CID 88795242

IUPAC2-amino-2-ethenylpentanediamide
SMILESC=CC(N)(CCC(N)=O)C(N)=O
InChIInChI=1S/C7H13N3O2/c1-2-7(10,6(9)12)4-3-5(8)11/h2H,1,3-4,10H2,(H2,8,11)(H2,9,12)
InChIKeyZPKXZMCKNPXFGB-UHFFFAOYSA-N
MW171.20 g/mol
LogP-1.38
Rot. Bonds5

About 2-amino-2-ethenylpentanediamide

2-amino-2-ethenylpentanediamide (PubChem CID 88795242) has the molecular formula C7H13N3O2 and a molecular weight of 171.20 g/mol. Its IUPAC name is 2-amino-2-ethenylpentanediamide.

Molecular Properties

Compound Name2-amino-2-ethenylpentanediamide
PubChem CID88795242
Molecular FormulaC7H13N3O2
Molecular Weight171.20 g/mol
Exact Mass171.10
IUPAC Name2-amino-2-ethenylpentanediamide
SMILESC=CC(N)(CCC(N)=O)C(N)=O
InChIInChI=1S/C7H13N3O2/c1-2-7(10,6(9)12)4-3-5(8)11/h2H,1,3-4,10H2,(H2,8,11)(H2,9,12)
InChIKeyZPKXZMCKNPXFGB-UHFFFAOYSA-N
XLogP-1.38
TPSA112.20 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 5-1.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-amino-2-ethenylpentanediamide 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-2-ethenylpentanediamide?
The IUPAC name of 2-amino-2-ethenylpentanediamide (CID 88795242) is 2-amino-2-ethenylpentanediamide.
What is the SMILES notation for 2-amino-2-ethenylpentanediamide?
The canonical SMILES for 2-amino-2-ethenylpentanediamide is C=CC(N)(CCC(N)=O)C(N)=O.
What is the InChIKey of 2-amino-2-ethenylpentanediamide?
The InChIKey is ZPKXZMCKNPXFGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O2/c1-2-7(10,6(9)12)4-3-5(8)11/h2H,1,3-4,10H2,(H2,8,11)(H2,9,12).
What are the key properties of 2-amino-2-ethenylpentanediamide?
2-amino-2-ethenylpentanediamide has a molecular weight of 171.20 g/mol, XLogP of -1.38, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-ethenylpentanediamide is sourced from PubChem (CID 88795242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).