ethyl 2-amino-3-oxobutanoate

C6H11NO3 — CID 13282896

IUPACethyl 2-amino-3-oxobutanoate
SMILESCCOC(=O)C(N)C(C)=O
InChIInChI=1S/C6H11NO3/c1-3-10-6(9)5(7)4(2)8/h5H,3,7H2,1-2H3
InChIKeyILZPCWYLRFUNFZ-UHFFFAOYSA-N
MW145.16 g/mol
LogP-0.53
Rot. Bonds3

About ethyl 2-amino-3-oxobutanoate

ethyl 2-amino-3-oxobutanoate (PubChem CID 13282896) has the molecular formula C6H11NO3 and a molecular weight of 145.16 g/mol. Its IUPAC name is ethyl 2-amino-3-oxobutanoate.

Molecular Properties

Compound Nameethyl 2-amino-3-oxobutanoate
PubChem CID13282896
Molecular FormulaC6H11NO3
Molecular Weight145.16 g/mol
Exact Mass145.07
IUPAC Nameethyl 2-amino-3-oxobutanoate
SMILESCCOC(=O)C(N)C(C)=O
InChIInChI=1S/C6H11NO3/c1-3-10-6(9)5(7)4(2)8/h5H,3,7H2,1-2H3
InChIKeyILZPCWYLRFUNFZ-UHFFFAOYSA-N
XLogP-0.53
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 5-0.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-3-oxobutanoate?
The IUPAC name of ethyl 2-amino-3-oxobutanoate (CID 13282896) is ethyl 2-amino-3-oxobutanoate.
What is the SMILES notation for ethyl 2-amino-3-oxobutanoate?
The canonical SMILES for ethyl 2-amino-3-oxobutanoate is CCOC(=O)C(N)C(C)=O.
What is the InChIKey of ethyl 2-amino-3-oxobutanoate?
The InChIKey is ILZPCWYLRFUNFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO3/c1-3-10-6(9)5(7)4(2)8/h5H,3,7H2,1-2H3.
What are the key properties of ethyl 2-amino-3-oxobutanoate?
ethyl 2-amino-3-oxobutanoate has a molecular weight of 145.16 g/mol, XLogP of -0.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-3-oxobutanoate is sourced from PubChem (CID 13282896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).