2-amino-N-ethyl-4-oxobutanamide

C6H12N2O2 — CID 143988292

IUPAC2-amino-N-ethyl-4-oxobutanamide
SMILESCCNC(=O)C(N)CC=O
InChIInChI=1S/C6H12N2O2/c1-2-8-6(10)5(7)3-4-9/h4-5H,2-3,7H2,1H3,(H,8,10)
InChIKeyPDQWNHQBSIKBRR-UHFFFAOYSA-N
MW144.17 g/mol
LogP-0.96
Rot. Bonds4

About 2-amino-N-ethyl-4-oxobutanamide

2-amino-N-ethyl-4-oxobutanamide (PubChem CID 143988292) has the molecular formula C6H12N2O2 and a molecular weight of 144.17 g/mol. Its IUPAC name is 2-amino-N-ethyl-4-oxobutanamide.

Molecular Properties

Compound Name2-amino-N-ethyl-4-oxobutanamide
PubChem CID143988292
Molecular FormulaC6H12N2O2
Molecular Weight144.17 g/mol
Exact Mass144.09
IUPAC Name2-amino-N-ethyl-4-oxobutanamide
SMILESCCNC(=O)C(N)CC=O
InChIInChI=1S/C6H12N2O2/c1-2-8-6(10)5(7)3-4-9/h4-5H,2-3,7H2,1H3,(H,8,10)
InChIKeyPDQWNHQBSIKBRR-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': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-amino-N-ethyl-5-oxopentanamide
CID 144523819
2-amino-N-ethyl-3-(methylamino)propanamide
CID 89258842
(2R)-2-amino-N-ethyl-3-sulfanylpropanamide;hydrochloride
CID 139691176
2-amino-N,N'-diethylpropanediamide
CID 88901749
(2R)-2-amino-3-cyclopropyl-N-ethylpropanamide
CID 82668057
2-amino-N-ethyl-3-ethylsulfanylpropanamide
CID 13059396
ethyl (2S)-2-amino-4-oxobutanoate
CID 174339605
3-(ethylamino)-2-formyl-3-oxopropanoic acid
CID 89043660
2-amino-N-ethyl-4-methylsulfonylbutanamide
CID 24697380
2-[[(2-amino-4-oxobutanoyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 167138546
(2S)-2-amino-N-ethyl-3-methylpentanamide
CID 61172974
2-amino-N-ethyl-3-phenylpropanamide;hydrochloride
CID 53409094

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-ethyl-4-oxobutanamide?
The IUPAC name of 2-amino-N-ethyl-4-oxobutanamide (CID 143988292) is 2-amino-N-ethyl-4-oxobutanamide.
What is the SMILES notation for 2-amino-N-ethyl-4-oxobutanamide?
The canonical SMILES for 2-amino-N-ethyl-4-oxobutanamide is CCNC(=O)C(N)CC=O.
What is the InChIKey of 2-amino-N-ethyl-4-oxobutanamide?
The InChIKey is PDQWNHQBSIKBRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O2/c1-2-8-6(10)5(7)3-4-9/h4-5H,2-3,7H2,1H3,(H,8,10).
What are the key properties of 2-amino-N-ethyl-4-oxobutanamide?
2-amino-N-ethyl-4-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 2-amino-N-ethyl-4-oxobutanamide is sourced from PubChem (CID 143988292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).