N-(2-aminoethyl)-3-oxobutanamide

C6H12N2O2 — CID 3020471

IUPACN-(2-aminoethyl)-3-oxobutanamide
SMILESCC(=O)CC(=O)NCCN
InChIInChI=1S/C6H12N2O2/c1-5(9)4-6(10)8-3-2-7/h2-4,7H2,1H3,(H,8,10)
InChIKeyWDDZPNJQWYESGP-UHFFFAOYSA-N
MW144.17 g/mol
LogP-0.96
Rot. Bonds4

About N-(2-aminoethyl)-3-oxobutanamide

N-(2-aminoethyl)-3-oxobutanamide (PubChem CID 3020471) has the molecular formula C6H12N2O2 and a molecular weight of 144.17 g/mol. Its IUPAC name is N-(2-aminoethyl)-3-oxobutanamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-3-oxobutanamide
PubChem CID3020471
Molecular FormulaC6H12N2O2
Molecular Weight144.17 g/mol
Exact Mass144.09
IUPAC NameN-(2-aminoethyl)-3-oxobutanamide
SMILESCC(=O)CC(=O)NCCN
InChIInChI=1S/C6H12N2O2/c1-5(9)4-6(10)8-3-2-7/h2-4,7H2,1H3,(H,8,10)
InChIKeyWDDZPNJQWYESGP-UHFFFAOYSA-N
XLogP-0.96
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
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': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze N-(2-aminoethyl)-3-oxobutanamide with MolForge

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

Launch Full Analysis

Related Compounds

3-oxo-N-(3-oxobutyl)butanamide
CID 159841934
N-(2-chloroethyl)-3-oxobutanamide
CID 3015258
N-(2-bromoethyl)-3-oxobutanamide
CID 21454933
N-butyl-3-oxobutanamide
CID 5161533
3-oxo-N-(2-sulfamoylethyl)butanamide
CID 60933288
N-(2-aminoethyl)acetamide;ethanamine
CID 142425997
N-[2-[di(propan-2-yl)amino]ethyl]-3-oxobutanamide
CID 18071565
N-(2-aminoethyl)butanamide;ethane
CID 143117924
N,N'-bis[2-[2-(2-aminoethylamino)ethylamino]ethyl]propanediamide
CID 59846980
N,N'-bis[2-(2-aminoethylamino)ethyl]propanediamide
CID 100925313
N-(2-aminoethyl)-3,4,4-trifluorobut-3-enamide;hydrochloride
CID 15239204
methyl 3-(3-oxobutanoylamino)propanoate
CID 61249216

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-3-oxobutanamide?
The IUPAC name of N-(2-aminoethyl)-3-oxobutanamide (CID 3020471) is N-(2-aminoethyl)-3-oxobutanamide.
What is the SMILES notation for N-(2-aminoethyl)-3-oxobutanamide?
The canonical SMILES for N-(2-aminoethyl)-3-oxobutanamide is CC(=O)CC(=O)NCCN.
What is the InChIKey of N-(2-aminoethyl)-3-oxobutanamide?
The InChIKey is WDDZPNJQWYESGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O2/c1-5(9)4-6(10)8-3-2-7/h2-4,7H2,1H3,(H,8,10).
What are the key properties of N-(2-aminoethyl)-3-oxobutanamide?
N-(2-aminoethyl)-3-oxobutanamide has a molecular weight of 144.17 g/mol, XLogP of -0.96, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-3-oxobutanamide is sourced from PubChem (CID 3020471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).