methyl 4-methyl-4-(2-methylprop-2-enoylamino)pentanoate

C11H19NO3 — CID 23181795

IUPACmethyl 4-methyl-4-(2-methylprop-2-enoylamino)pentanoate
SMILESC=C(C)C(=O)NC(C)(C)CCC(=O)OC
InChIInChI=1S/C11H19NO3/c1-8(2)10(14)12-11(3,4)7-6-9(13)15-5/h1,6-7H2,2-5H3,(H,12,14)
InChIKeyWFPPZIWHBKHNOI-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.41
Rot. Bonds5

About methyl 4-methyl-4-(2-methylprop-2-enoylamino)pentanoate

methyl 4-methyl-4-(2-methylprop-2-enoylamino)pentanoate (PubChem CID 23181795) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is methyl 4-methyl-4-(2-methylprop-2-enoylamino)pentanoate.

Molecular Properties

Compound Namemethyl 4-methyl-4-(2-methylprop-2-enoylamino)pentanoate
PubChem CID23181795
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Namemethyl 4-methyl-4-(2-methylprop-2-enoylamino)pentanoate
SMILESC=C(C)C(=O)NC(C)(C)CCC(=O)OC
InChIInChI=1S/C11H19NO3/c1-8(2)10(14)12-11(3,4)7-6-9(13)15-5/h1,6-7H2,2-5H3,(H,12,14)
InChIKeyWFPPZIWHBKHNOI-UHFFFAOYSA-N
XLogP1.41
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.41
H-Bond Donors ≤ 51
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 methyl 4-methyl-4-(2-methylprop-2-enoylamino)pentanoate?
The IUPAC name of methyl 4-methyl-4-(2-methylprop-2-enoylamino)pentanoate (CID 23181795) is methyl 4-methyl-4-(2-methylprop-2-enoylamino)pentanoate.
What is the SMILES notation for methyl 4-methyl-4-(2-methylprop-2-enoylamino)pentanoate?
The canonical SMILES for methyl 4-methyl-4-(2-methylprop-2-enoylamino)pentanoate is C=C(C)C(=O)NC(C)(C)CCC(=O)OC.
What is the InChIKey of methyl 4-methyl-4-(2-methylprop-2-enoylamino)pentanoate?
The InChIKey is WFPPZIWHBKHNOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-8(2)10(14)12-11(3,4)7-6-9(13)15-5/h1,6-7H2,2-5H3,(H,12,14).
What are the key properties of methyl 4-methyl-4-(2-methylprop-2-enoylamino)pentanoate?
methyl 4-methyl-4-(2-methylprop-2-enoylamino)pentanoate has a molecular weight of 213.28 g/mol, XLogP of 1.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-4-(2-methylprop-2-enoylamino)pentanoate is sourced from PubChem (CID 23181795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).