3-(2-aminoprop-1-enylamino)propanamide

C6H13N3O — CID 173439253

IUPAC3-(2-aminoprop-1-enylamino)propanamide
SMILESCC(N)=CNCCC(N)=O
InChIInChI=1S/C6H13N3O/c1-5(7)4-9-3-2-6(8)10/h4,9H,2-3,7H2,1H3,(H2,8,10)
InChIKeyHGIYKLLHQXOBED-UHFFFAOYSA-N
MW143.19 g/mol
LogP-0.73
Rot. Bonds4

About 3-(2-aminoprop-1-enylamino)propanamide

3-(2-aminoprop-1-enylamino)propanamide (PubChem CID 173439253) has the molecular formula C6H13N3O and a molecular weight of 143.19 g/mol. Its IUPAC name is 3-(2-aminoprop-1-enylamino)propanamide.

Molecular Properties

Compound Name3-(2-aminoprop-1-enylamino)propanamide
PubChem CID173439253
Molecular FormulaC6H13N3O
Molecular Weight143.19 g/mol
Exact Mass143.11
IUPAC Name3-(2-aminoprop-1-enylamino)propanamide
SMILESCC(N)=CNCCC(N)=O
InChIInChI=1S/C6H13N3O/c1-5(7)4-9-3-2-6(8)10/h4,9H,2-3,7H2,1H3,(H2,8,10)
InChIKeyHGIYKLLHQXOBED-UHFFFAOYSA-N
XLogP-0.73
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 5-0.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoprop-1-enylamino)propanamide?
The IUPAC name of 3-(2-aminoprop-1-enylamino)propanamide (CID 173439253) is 3-(2-aminoprop-1-enylamino)propanamide.
What is the SMILES notation for 3-(2-aminoprop-1-enylamino)propanamide?
The canonical SMILES for 3-(2-aminoprop-1-enylamino)propanamide is CC(N)=CNCCC(N)=O.
What is the InChIKey of 3-(2-aminoprop-1-enylamino)propanamide?
The InChIKey is HGIYKLLHQXOBED-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3O/c1-5(7)4-9-3-2-6(8)10/h4,9H,2-3,7H2,1H3,(H2,8,10).
What are the key properties of 3-(2-aminoprop-1-enylamino)propanamide?
3-(2-aminoprop-1-enylamino)propanamide has a molecular weight of 143.19 g/mol, XLogP of -0.73, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoprop-1-enylamino)propanamide is sourced from PubChem (CID 173439253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).