(3R)-3-amino-4-oxobutanamide;ethene;methane

C14H44N2O2 — CID 158060763

IUPAC(3R)-3-amino-4-oxobutanamide;ethene;methane
SMILESC.C.C.C.C.C.C.C.C=C.NC(=O)C[C@@H](N)C=O
InChIInChI=1S/C4H8N2O2.C2H4.8CH4/c5-3(2-7)1-4(6)8;1-2;;;;;;;;/h2-3H,1,5H2,(H2,6,8);1-2H2;8*1H4/t3-;;;;;;;;;/m1........./s1
InChIKeyFKPMTBKEFGJRQT-DPEVDOEVSA-N
MW272.52 g/mol
LogP4.28
Rot. Bonds3

About (3R)-3-amino-4-oxobutanamide;ethene;methane

(3R)-3-amino-4-oxobutanamide;ethene;methane (PubChem CID 158060763) has the molecular formula C14H44N2O2 and a molecular weight of 272.52 g/mol. Its IUPAC name is (3R)-3-amino-4-oxobutanamide;ethene;methane.

Molecular Properties

Compound Name(3R)-3-amino-4-oxobutanamide;ethene;methane
PubChem CID158060763
Molecular FormulaC14H44N2O2
Molecular Weight272.52 g/mol
Exact Mass272.34
IUPAC Name(3R)-3-amino-4-oxobutanamide;ethene;methane
SMILESC.C.C.C.C.C.C.C.C=C.NC(=O)C[C@@H](N)C=O
InChIInChI=1S/C4H8N2O2.C2H4.8CH4/c5-3(2-7)1-4(6)8;1-2;;;;;;;;/h2-3H,1,5H2,(H2,6,8);1-2H2;8*1H4/t3-;;;;;;;;;/m1........./s1
InChIKeyFKPMTBKEFGJRQT-DPEVDOEVSA-N
XLogP4.28
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.52
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

sodium;(3S)-3-amino-4-oxobutanoic acid;hydride
CID 175446278
(3S)-3-amino-N-methyl-4-oxobutanamide
CID 57098200
(4S)-4-amino-5-oxopentanoic acid;methane
CID 162048399
(3S,4S)-3-hydroxy-4-methyl-5-oxopentanamide
CID 121479436
(4Z)-2-amino-4-ethenylhepta-4,6-dienal;ethane
CID 142945417
2-amino-N-prop-2-enoylbutanediamide
CID 146479347
[(2R)-4-amino-1,4-dioxobutan-2-yl]-propylazanide;ethene;propane
CID 159404818
3,4-diaminobutanamide
CID 66426891
(2S)-2-aminopent-4-enal
CID 160694428
(3S)-3-aminobutanamide;hydrochloride
CID 57478871
(Z)-2-amino-4-(ethylideneamino)hex-4-enal
CID 164530588
3-methylbutanamide;propanal
CID 145275365

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-4-oxobutanamide;ethene;methane?
The IUPAC name of (3R)-3-amino-4-oxobutanamide;ethene;methane (CID 158060763) is (3R)-3-amino-4-oxobutanamide;ethene;methane.
What is the SMILES notation for (3R)-3-amino-4-oxobutanamide;ethene;methane?
The canonical SMILES for (3R)-3-amino-4-oxobutanamide;ethene;methane is C.C.C.C.C.C.C.C.C=C.NC(=O)C[C@@H](N)C=O.
What is the InChIKey of (3R)-3-amino-4-oxobutanamide;ethene;methane?
The InChIKey is FKPMTBKEFGJRQT-DPEVDOEVSA-N. The full InChI is InChI=1S/C4H8N2O2.C2H4.8CH4/c5-3(2-7)1-4(6)8;1-2;;;;;;;;/h2-3H,1,5H2,(H2,6,8);1-2H2;8*1H4/t3-;;;;;;;;;/m1........./s1.
What are the key properties of (3R)-3-amino-4-oxobutanamide;ethene;methane?
(3R)-3-amino-4-oxobutanamide;ethene;methane has a molecular weight of 272.52 g/mol, XLogP of 4.28, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-4-oxobutanamide;ethene;methane is sourced from PubChem (CID 158060763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).