propyl 2-[methyl(3-methylbut-2-enoyl)amino]acetate

C11H19NO3 — CID 91698387

IUPACpropyl 2-[methyl(3-methylbut-2-enoyl)amino]acetate
SMILESCCCOC(=O)CN(C)C(=O)C=C(C)C
InChIInChI=1S/C11H19NO3/c1-5-6-15-11(14)8-12(4)10(13)7-9(2)3/h7H,5-6,8H2,1-4H3
InChIKeySNCNQPMOIUNNQU-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.36
Rot. Bonds5

About propyl 2-[methyl(3-methylbut-2-enoyl)amino]acetate

propyl 2-[methyl(3-methylbut-2-enoyl)amino]acetate (PubChem CID 91698387) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is propyl 2-[methyl(3-methylbut-2-enoyl)amino]acetate.

Molecular Properties

Compound Namepropyl 2-[methyl(3-methylbut-2-enoyl)amino]acetate
PubChem CID91698387
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Namepropyl 2-[methyl(3-methylbut-2-enoyl)amino]acetate
SMILESCCCOC(=O)CN(C)C(=O)C=C(C)C
InChIInChI=1S/C11H19NO3/c1-5-6-15-11(14)8-12(4)10(13)7-9(2)3/h7H,5-6,8H2,1-4H3
InChIKeySNCNQPMOIUNNQU-UHFFFAOYSA-N
XLogP1.36
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
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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Frequently Asked Questions

What is the IUPAC name of propyl 2-[methyl(3-methylbut-2-enoyl)amino]acetate?
The IUPAC name of propyl 2-[methyl(3-methylbut-2-enoyl)amino]acetate (CID 91698387) is propyl 2-[methyl(3-methylbut-2-enoyl)amino]acetate.
What is the SMILES notation for propyl 2-[methyl(3-methylbut-2-enoyl)amino]acetate?
The canonical SMILES for propyl 2-[methyl(3-methylbut-2-enoyl)amino]acetate is CCCOC(=O)CN(C)C(=O)C=C(C)C.
What is the InChIKey of propyl 2-[methyl(3-methylbut-2-enoyl)amino]acetate?
The InChIKey is SNCNQPMOIUNNQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-5-6-15-11(14)8-12(4)10(13)7-9(2)3/h7H,5-6,8H2,1-4H3.
What are the key properties of propyl 2-[methyl(3-methylbut-2-enoyl)amino]acetate?
propyl 2-[methyl(3-methylbut-2-enoyl)amino]acetate has a molecular weight of 213.28 g/mol, XLogP of 1.36, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 2-[methyl(3-methylbut-2-enoyl)amino]acetate is sourced from PubChem (CID 91698387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).