methyl 4-[methyl(pent-4-enoyl)amino]butanoate

C11H19NO3 — CID 55211294

IUPACmethyl 4-[methyl(pent-4-enoyl)amino]butanoate
SMILESC=CCCC(=O)N(C)CCCC(=O)OC
InChIInChI=1S/C11H19NO3/c1-4-5-7-10(13)12(2)9-6-8-11(14)15-3/h4H,1,5-9H2,2-3H3
InChIKeyIERAOFGSCNIOBN-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.36
Rot. Bonds7

About methyl 4-[methyl(pent-4-enoyl)amino]butanoate

methyl 4-[methyl(pent-4-enoyl)amino]butanoate (PubChem CID 55211294) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is methyl 4-[methyl(pent-4-enoyl)amino]butanoate.

Molecular Properties

Compound Namemethyl 4-[methyl(pent-4-enoyl)amino]butanoate
PubChem CID55211294
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Namemethyl 4-[methyl(pent-4-enoyl)amino]butanoate
SMILESC=CCCC(=O)N(C)CCCC(=O)OC
InChIInChI=1S/C11H19NO3/c1-4-5-7-10(13)12(2)9-6-8-11(14)15-3/h4H,1,5-9H2,2-3H3
InChIKeyIERAOFGSCNIOBN-UHFFFAOYSA-N
XLogP1.36
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
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': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[methyl(pent-4-enoyl)amino]butanoate?
The IUPAC name of methyl 4-[methyl(pent-4-enoyl)amino]butanoate (CID 55211294) is methyl 4-[methyl(pent-4-enoyl)amino]butanoate.
What is the SMILES notation for methyl 4-[methyl(pent-4-enoyl)amino]butanoate?
The canonical SMILES for methyl 4-[methyl(pent-4-enoyl)amino]butanoate is C=CCCC(=O)N(C)CCCC(=O)OC.
What is the InChIKey of methyl 4-[methyl(pent-4-enoyl)amino]butanoate?
The InChIKey is IERAOFGSCNIOBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-4-5-7-10(13)12(2)9-6-8-11(14)15-3/h4H,1,5-9H2,2-3H3.
What are the key properties of methyl 4-[methyl(pent-4-enoyl)amino]butanoate?
methyl 4-[methyl(pent-4-enoyl)amino]butanoate has a molecular weight of 213.28 g/mol, XLogP of 1.36, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[methyl(pent-4-enoyl)amino]butanoate is sourced from PubChem (CID 55211294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).