3-amino-N-(3-oxopropyl)propanamide

C6H12N2O2 — CID 18328682

IUPAC3-amino-N-(3-oxopropyl)propanamide
SMILESNCCC(=O)NCCC=O
InChIInChI=1S/C6H12N2O2/c7-3-2-6(10)8-4-1-5-9/h5H,1-4,7H2,(H,8,10)
InChIKeyZNVKVWCFNNMMJG-UHFFFAOYSA-N
MW144.17 g/mol
LogP-0.96
Rot. Bonds5

About 3-amino-N-(3-oxopropyl)propanamide

3-amino-N-(3-oxopropyl)propanamide (PubChem CID 18328682) has the molecular formula C6H12N2O2 and a molecular weight of 144.17 g/mol. Its IUPAC name is 3-amino-N-(3-oxopropyl)propanamide.

Molecular Properties

Compound Name3-amino-N-(3-oxopropyl)propanamide
PubChem CID18328682
Molecular FormulaC6H12N2O2
Molecular Weight144.17 g/mol
Exact Mass144.09
IUPAC Name3-amino-N-(3-oxopropyl)propanamide
SMILESNCCC(=O)NCCC=O
InChIInChI=1S/C6H12N2O2/c7-3-2-6(10)8-4-1-5-9/h5H,1-4,7H2,(H,8,10)
InChIKeyZNVKVWCFNNMMJG-UHFFFAOYSA-N
XLogP-0.96
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 5-0.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3-oxopropyl)propanamide?
The IUPAC name of 3-amino-N-(3-oxopropyl)propanamide (CID 18328682) is 3-amino-N-(3-oxopropyl)propanamide.
What is the SMILES notation for 3-amino-N-(3-oxopropyl)propanamide?
The canonical SMILES for 3-amino-N-(3-oxopropyl)propanamide is NCCC(=O)NCCC=O.
What is the InChIKey of 3-amino-N-(3-oxopropyl)propanamide?
The InChIKey is ZNVKVWCFNNMMJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O2/c7-3-2-6(10)8-4-1-5-9/h5H,1-4,7H2,(H,8,10).
What are the key properties of 3-amino-N-(3-oxopropyl)propanamide?
3-amino-N-(3-oxopropyl)propanamide has a molecular weight of 144.17 g/mol, XLogP of -0.96, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3-oxopropyl)propanamide is sourced from PubChem (CID 18328682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).