amino 2-ethyl-2-(2-methylprop-2-enoyloxy)-3-oxobutanoate

C10H15NO5 — CID 174829979

IUPACamino 2-ethyl-2-(2-methylprop-2-enoyloxy)-3-oxobutanoate
SMILESC=C(C)C(=O)OC(CC)(C(C)=O)C(=O)ON
InChIInChI=1S/C10H15NO5/c1-5-10(7(4)12,9(14)16-11)15-8(13)6(2)3/h2,5,11H2,1,3-4H3
InChIKeyDTGZECPVUOEMNE-UHFFFAOYSA-N
MW229.23 g/mol
LogP0.26
Rot. Bonds5

About amino 2-ethyl-2-(2-methylprop-2-enoyloxy)-3-oxobutanoate

amino 2-ethyl-2-(2-methylprop-2-enoyloxy)-3-oxobutanoate (PubChem CID 174829979) has the molecular formula C10H15NO5 and a molecular weight of 229.23 g/mol. Its IUPAC name is amino 2-ethyl-2-(2-methylprop-2-enoyloxy)-3-oxobutanoate.

Molecular Properties

Compound Nameamino 2-ethyl-2-(2-methylprop-2-enoyloxy)-3-oxobutanoate
PubChem CID174829979
Molecular FormulaC10H15NO5
Molecular Weight229.23 g/mol
Exact Mass229.10
IUPAC Nameamino 2-ethyl-2-(2-methylprop-2-enoyloxy)-3-oxobutanoate
SMILESC=C(C)C(=O)OC(CC)(C(C)=O)C(=O)ON
InChIInChI=1S/C10H15NO5/c1-5-10(7(4)12,9(14)16-11)15-8(13)6(2)3/h2,5,11H2,1,3-4H3
InChIKeyDTGZECPVUOEMNE-UHFFFAOYSA-N
XLogP0.26
TPSA95.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.23
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of amino 2-ethyl-2-(2-methylprop-2-enoyloxy)-3-oxobutanoate?
The IUPAC name of amino 2-ethyl-2-(2-methylprop-2-enoyloxy)-3-oxobutanoate (CID 174829979) is amino 2-ethyl-2-(2-methylprop-2-enoyloxy)-3-oxobutanoate.
What is the SMILES notation for amino 2-ethyl-2-(2-methylprop-2-enoyloxy)-3-oxobutanoate?
The canonical SMILES for amino 2-ethyl-2-(2-methylprop-2-enoyloxy)-3-oxobutanoate is C=C(C)C(=O)OC(CC)(C(C)=O)C(=O)ON.
What is the InChIKey of amino 2-ethyl-2-(2-methylprop-2-enoyloxy)-3-oxobutanoate?
The InChIKey is DTGZECPVUOEMNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO5/c1-5-10(7(4)12,9(14)16-11)15-8(13)6(2)3/h2,5,11H2,1,3-4H3.
What are the key properties of amino 2-ethyl-2-(2-methylprop-2-enoyloxy)-3-oxobutanoate?
amino 2-ethyl-2-(2-methylprop-2-enoyloxy)-3-oxobutanoate has a molecular weight of 229.23 g/mol, XLogP of 0.26, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for amino 2-ethyl-2-(2-methylprop-2-enoyloxy)-3-oxobutanoate is sourced from PubChem (CID 174829979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).