ethyl 2-[[(E)-but-2-enoyl]-propylamino]acetate

C11H19NO3 — CID 61008936

IUPACethyl 2-[[(E)-but-2-enoyl]-propylamino]acetate
SMILESC/C=C/C(=O)N(CCC)CC(=O)OCC
InChIInChI=1S/C11H19NO3/c1-4-7-10(13)12(8-5-2)9-11(14)15-6-3/h4,7H,5-6,8-9H2,1-3H3/b7-4+
InChIKeyIVYYZCDFEZRTKG-QPJJXVBHSA-N
MW213.28 g/mol
LogP1.36
Rot. Bonds6

About ethyl 2-[[(E)-but-2-enoyl]-propylamino]acetate

ethyl 2-[[(E)-but-2-enoyl]-propylamino]acetate (PubChem CID 61008936) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is ethyl 2-[[(E)-but-2-enoyl]-propylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[[(E)-but-2-enoyl]-propylamino]acetate
PubChem CID61008936
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Nameethyl 2-[[(E)-but-2-enoyl]-propylamino]acetate
SMILESC/C=C/C(=O)N(CCC)CC(=O)OCC
InChIInChI=1S/C11H19NO3/c1-4-7-10(13)12(8-5-2)9-11(14)15-6-3/h4,7H,5-6,8-9H2,1-3H3/b7-4+
InChIKeyIVYYZCDFEZRTKG-QPJJXVBHSA-N
XLogP1.36
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 ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

Ethyl maleimidoacetate
CID 6539156
N-Acryloylsarcosine methyl ester
CID 7015777
Sarcosine, N-(3-methylbut-2-enoyl)-, ethyl ester
CID 61597953
Sarcosine, N-(3-methylbut-2-enoyl)-, propyl ester
CID 91698387
Ethyl 6-methyl-2-oxo-1(2H)-pyridineacetate
CID 14196015
Propyl 2-(5-fluoro-2-oxo-1-pyridinyl)acetate
CID 84313534
Ethyl 2-(5-fluoro-2-oxo-1-pyridinyl)acetate
CID 84313918
methyl 2-(5-oxo-2H-pyrrol-1-yl)propanoate
CID 101892363
Ethyl 2-(but-2-enoylamino)acetate
CID 4777939
ethyl 2-[[(E)-but-2-enoyl]amino]acetate
CID 6211681
Ethyl 2-(2-oxopyridin-1-YL)acetate
CID 9497629
2-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)ethyl acetate
CID 11446725

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[(E)-but-2-enoyl]-propylamino]acetate?
The IUPAC name of ethyl 2-[[(E)-but-2-enoyl]-propylamino]acetate (CID 61008936) is ethyl 2-[[(E)-but-2-enoyl]-propylamino]acetate.
What is the SMILES notation for ethyl 2-[[(E)-but-2-enoyl]-propylamino]acetate?
The canonical SMILES for ethyl 2-[[(E)-but-2-enoyl]-propylamino]acetate is C/C=C/C(=O)N(CCC)CC(=O)OCC.
What is the InChIKey of ethyl 2-[[(E)-but-2-enoyl]-propylamino]acetate?
The InChIKey is IVYYZCDFEZRTKG-QPJJXVBHSA-N. The full InChI is InChI=1S/C11H19NO3/c1-4-7-10(13)12(8-5-2)9-11(14)15-6-3/h4,7H,5-6,8-9H2,1-3H3/b7-4+.
What are the key properties of ethyl 2-[[(E)-but-2-enoyl]-propylamino]acetate?
ethyl 2-[[(E)-but-2-enoyl]-propylamino]acetate has a molecular weight of 213.28 g/mol, XLogP of 1.36, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[(E)-but-2-enoyl]-propylamino]acetate is sourced from PubChem (CID 61008936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).