ethyl 4-[ethenyl(propan-2-yl)amino]-4-oxobutanoate

C11H19NO3 — CID 59325068

IUPACethyl 4-[ethenyl(propan-2-yl)amino]-4-oxobutanoate
SMILESC=CN(C(=O)CCC(=O)OCC)C(C)C
InChIInChI=1S/C11H19NO3/c1-5-12(9(3)4)10(13)7-8-11(14)15-6-2/h5,9H,1,6-8H2,2-4H3
InChIKeyUWVMXUSFLLJUET-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.71
Rot. Bonds6

About ethyl 4-[ethenyl(propan-2-yl)amino]-4-oxobutanoate

ethyl 4-[ethenyl(propan-2-yl)amino]-4-oxobutanoate (PubChem CID 59325068) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is ethyl 4-[ethenyl(propan-2-yl)amino]-4-oxobutanoate.

Molecular Properties

Compound Nameethyl 4-[ethenyl(propan-2-yl)amino]-4-oxobutanoate
PubChem CID59325068
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Nameethyl 4-[ethenyl(propan-2-yl)amino]-4-oxobutanoate
SMILESC=CN(C(=O)CCC(=O)OCC)C(C)C
InChIInChI=1S/C11H19NO3/c1-5-12(9(3)4)10(13)7-8-11(14)15-6-2/h5,9H,1,6-8H2,2-4H3
InChIKeyUWVMXUSFLLJUET-UHFFFAOYSA-N
XLogP1.71
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[ethenyl(propan-2-yl)amino]-4-oxobutanoate?
The IUPAC name of ethyl 4-[ethenyl(propan-2-yl)amino]-4-oxobutanoate (CID 59325068) is ethyl 4-[ethenyl(propan-2-yl)amino]-4-oxobutanoate.
What is the SMILES notation for ethyl 4-[ethenyl(propan-2-yl)amino]-4-oxobutanoate?
The canonical SMILES for ethyl 4-[ethenyl(propan-2-yl)amino]-4-oxobutanoate is C=CN(C(=O)CCC(=O)OCC)C(C)C.
What is the InChIKey of ethyl 4-[ethenyl(propan-2-yl)amino]-4-oxobutanoate?
The InChIKey is UWVMXUSFLLJUET-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-5-12(9(3)4)10(13)7-8-11(14)15-6-2/h5,9H,1,6-8H2,2-4H3.
What are the key properties of ethyl 4-[ethenyl(propan-2-yl)amino]-4-oxobutanoate?
ethyl 4-[ethenyl(propan-2-yl)amino]-4-oxobutanoate has a molecular weight of 213.28 g/mol, XLogP of 1.71, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[ethenyl(propan-2-yl)amino]-4-oxobutanoate is sourced from PubChem (CID 59325068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).