ethene;ethyl 2-amino-3-oxobutanoate

C8H15NO3 — CID 88717522

IUPACethene;ethyl 2-amino-3-oxobutanoate
SMILESC=C.CCOC(=O)C(N)C(C)=O
InChIInChI=1S/C6H11NO3.C2H4/c1-3-10-6(9)5(7)4(2)8;1-2/h5H,3,7H2,1-2H3;1-2H2
InChIKeyCRAQANBMONBDFL-UHFFFAOYSA-N
MW173.21 g/mol
LogP0.27
Rot. Bonds3

About ethene;ethyl 2-amino-3-oxobutanoate

ethene;ethyl 2-amino-3-oxobutanoate (PubChem CID 88717522) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is ethene;ethyl 2-amino-3-oxobutanoate.

Molecular Properties

Compound Nameethene;ethyl 2-amino-3-oxobutanoate
PubChem CID88717522
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Nameethene;ethyl 2-amino-3-oxobutanoate
SMILESC=C.CCOC(=O)C(N)C(C)=O
InChIInChI=1S/C6H11NO3.C2H4/c1-3-10-6(9)5(7)4(2)8;1-2/h5H,3,7H2,1-2H3;1-2H2
InChIKeyCRAQANBMONBDFL-UHFFFAOYSA-N
XLogP0.27
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

propyl 2-amino-3-oxobutanoate
CID 174900765
ethyl 2-amino-3-oxohexanoate
CID 11252792
methyl (2S)-2-amino-3-oxobutanoate
CID 20728075
diethyl 2-acetamidopropanedioate;diethyl 2-aminopropanedioate;hydrochloride
CID 159088657
ethene;ethyl 2-propylpentanoate
CID 160741230
ethyl (2R)-2-amino-4-methylpent-4-enoate
CID 14163093
ethyl (2R)-2-amino-4,4,4-trifluoro-3-oxobutanoate
CID 124559893
ethyl 2-amino-2-hydroxyacetate;hydrochloride
CID 88745536
ethyl (2R)-2-aminopropanoate;hydrochloride
CID 10236019
2-amino-3-[(2-amino-3-ethoxy-3-oxopropyl)disulfanyl]propanoic acid
CID 11173218
ethyl (2R,3S)-3-hydroxy-2-methyl-4-oxopentanoate
CID 58991559
ethyl 2-amino-3-[(2-amino-3-ethoxy-3-oxopropyl)disulfanyl]propanoate
CID 11426

Frequently Asked Questions

What is the IUPAC name of ethene;ethyl 2-amino-3-oxobutanoate?
The IUPAC name of ethene;ethyl 2-amino-3-oxobutanoate (CID 88717522) is ethene;ethyl 2-amino-3-oxobutanoate.
What is the SMILES notation for ethene;ethyl 2-amino-3-oxobutanoate?
The canonical SMILES for ethene;ethyl 2-amino-3-oxobutanoate is C=C.CCOC(=O)C(N)C(C)=O.
What is the InChIKey of ethene;ethyl 2-amino-3-oxobutanoate?
The InChIKey is CRAQANBMONBDFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO3.C2H4/c1-3-10-6(9)5(7)4(2)8;1-2/h5H,3,7H2,1-2H3;1-2H2.
What are the key properties of ethene;ethyl 2-amino-3-oxobutanoate?
ethene;ethyl 2-amino-3-oxobutanoate has a molecular weight of 173.21 g/mol, XLogP of 0.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;ethyl 2-amino-3-oxobutanoate is sourced from PubChem (CID 88717522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).