2-(2-methylbutanoylamino)ethyl 2-methylprop-2-enoate

C11H19NO3 — CID 22976400

IUPAC2-(2-methylbutanoylamino)ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCNC(=O)C(C)CC
InChIInChI=1S/C11H19NO3/c1-5-9(4)10(13)12-6-7-15-11(14)8(2)3/h9H,2,5-7H2,1,3-4H3,(H,12,13)
InChIKeyGABGBLLTSBZBLF-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.27
Rot. Bonds6

About 2-(2-methylbutanoylamino)ethyl 2-methylprop-2-enoate

2-(2-methylbutanoylamino)ethyl 2-methylprop-2-enoate (PubChem CID 22976400) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 2-(2-methylbutanoylamino)ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-(2-methylbutanoylamino)ethyl 2-methylprop-2-enoate
PubChem CID22976400
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name2-(2-methylbutanoylamino)ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCNC(=O)C(C)CC
InChIInChI=1S/C11H19NO3/c1-5-9(4)10(13)12-6-7-15-11(14)8(2)3/h9H,2,5-7H2,1,3-4H3,(H,12,13)
InChIKeyGABGBLLTSBZBLF-UHFFFAOYSA-N
XLogP1.27
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylbutanoylamino)ethyl 2-methylprop-2-enoate?
The IUPAC name of 2-(2-methylbutanoylamino)ethyl 2-methylprop-2-enoate (CID 22976400) is 2-(2-methylbutanoylamino)ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-(2-methylbutanoylamino)ethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-(2-methylbutanoylamino)ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCNC(=O)C(C)CC.
What is the InChIKey of 2-(2-methylbutanoylamino)ethyl 2-methylprop-2-enoate?
The InChIKey is GABGBLLTSBZBLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-5-9(4)10(13)12-6-7-15-11(14)8(2)3/h9H,2,5-7H2,1,3-4H3,(H,12,13).
What are the key properties of 2-(2-methylbutanoylamino)ethyl 2-methylprop-2-enoate?
2-(2-methylbutanoylamino)ethyl 2-methylprop-2-enoate has a molecular weight of 213.28 g/mol, XLogP of 1.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylbutanoylamino)ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 22976400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).