2-(1-aminoethyl)propanediamide

C5H11N3O2 — CID 88621921

IUPAC2-(1-aminoethyl)propanediamide
SMILESCC(N)C(C(N)=O)C(N)=O
InChIInChI=1S/C5H11N3O2/c1-2(6)3(4(7)9)5(8)10/h2-3H,6H2,1H3,(H2,7,9)(H2,8,10)
InChIKeyQKSFGGSZIVPTNN-UHFFFAOYSA-N
MW145.16 g/mol
LogP-2.08
Rot. Bonds3

About 2-(1-aminoethyl)propanediamide

2-(1-aminoethyl)propanediamide (PubChem CID 88621921) has the molecular formula C5H11N3O2 and a molecular weight of 145.16 g/mol. Its IUPAC name is 2-(1-aminoethyl)propanediamide.

Molecular Properties

Compound Name2-(1-aminoethyl)propanediamide
PubChem CID88621921
Molecular FormulaC5H11N3O2
Molecular Weight145.16 g/mol
Exact Mass145.09
IUPAC Name2-(1-aminoethyl)propanediamide
SMILESCC(N)C(C(N)=O)C(N)=O
InChIInChI=1S/C5H11N3O2/c1-2(6)3(4(7)9)5(8)10/h2-3H,6H2,1H3,(H2,7,9)(H2,8,10)
InChIKeyQKSFGGSZIVPTNN-UHFFFAOYSA-N
XLogP-2.08
TPSA112.20 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 5-2.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 2-(1-aminoethyl)propanediamide 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-(1-aminoethyl)propanediamide?
The IUPAC name of 2-(1-aminoethyl)propanediamide (CID 88621921) is 2-(1-aminoethyl)propanediamide.
What is the SMILES notation for 2-(1-aminoethyl)propanediamide?
The canonical SMILES for 2-(1-aminoethyl)propanediamide is CC(N)C(C(N)=O)C(N)=O.
What is the InChIKey of 2-(1-aminoethyl)propanediamide?
The InChIKey is QKSFGGSZIVPTNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N3O2/c1-2(6)3(4(7)9)5(8)10/h2-3H,6H2,1H3,(H2,7,9)(H2,8,10).
What are the key properties of 2-(1-aminoethyl)propanediamide?
2-(1-aminoethyl)propanediamide has a molecular weight of 145.16 g/mol, XLogP of -2.08, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminoethyl)propanediamide is sourced from PubChem (CID 88621921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).