methyl 2-(2,2-dimethylbut-3-enoylamino)-2-methylpropanoate

C11H19NO3 — CID 89044956

IUPACmethyl 2-(2,2-dimethylbut-3-enoylamino)-2-methylpropanoate
SMILESC=CC(C)(C)C(=O)NC(C)(C)C(=O)OC
InChIInChI=1S/C11H19NO3/c1-7-10(2,3)8(13)12-11(4,5)9(14)15-6/h7H,1H2,2-6H3,(H,12,13)
InChIKeyBFZNKOMNKAPXRZ-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.27
Rot. Bonds4

About methyl 2-(2,2-dimethylbut-3-enoylamino)-2-methylpropanoate

methyl 2-(2,2-dimethylbut-3-enoylamino)-2-methylpropanoate (PubChem CID 89044956) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is methyl 2-(2,2-dimethylbut-3-enoylamino)-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 2-(2,2-dimethylbut-3-enoylamino)-2-methylpropanoate
PubChem CID89044956
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Namemethyl 2-(2,2-dimethylbut-3-enoylamino)-2-methylpropanoate
SMILESC=CC(C)(C)C(=O)NC(C)(C)C(=O)OC
InChIInChI=1S/C11H19NO3/c1-7-10(2,3)8(13)12-11(4,5)9(14)15-6/h7H,1H2,2-6H3,(H,12,13)
InChIKeyBFZNKOMNKAPXRZ-UHFFFAOYSA-N
XLogP1.27
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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': 'isolated_alkene', 'substructure': 'N/A'}

Analyze methyl 2-(2,2-dimethylbut-3-enoylamino)-2-methylpropanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2,2-dimethylbut-3-enoylamino)-2-methylpropanoate?
The IUPAC name of methyl 2-(2,2-dimethylbut-3-enoylamino)-2-methylpropanoate (CID 89044956) is methyl 2-(2,2-dimethylbut-3-enoylamino)-2-methylpropanoate.
What is the SMILES notation for methyl 2-(2,2-dimethylbut-3-enoylamino)-2-methylpropanoate?
The canonical SMILES for methyl 2-(2,2-dimethylbut-3-enoylamino)-2-methylpropanoate is C=CC(C)(C)C(=O)NC(C)(C)C(=O)OC.
What is the InChIKey of methyl 2-(2,2-dimethylbut-3-enoylamino)-2-methylpropanoate?
The InChIKey is BFZNKOMNKAPXRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-7-10(2,3)8(13)12-11(4,5)9(14)15-6/h7H,1H2,2-6H3,(H,12,13).
What are the key properties of methyl 2-(2,2-dimethylbut-3-enoylamino)-2-methylpropanoate?
methyl 2-(2,2-dimethylbut-3-enoylamino)-2-methylpropanoate has a molecular weight of 213.28 g/mol, XLogP of 1.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2,2-dimethylbut-3-enoylamino)-2-methylpropanoate is sourced from PubChem (CID 89044956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).