ethyl 2-methyl-2-(2-methylbut-3-en-2-ylamino)propanoate

C11H21NO2 — CID 134517254

IUPACethyl 2-methyl-2-(2-methylbut-3-en-2-ylamino)propanoate
SMILESC=CC(C)(C)NC(C)(C)C(=O)OCC
InChIInChI=1S/C11H21NO2/c1-7-10(3,4)12-11(5,6)9(13)14-8-2/h7,12H,1,8H2,2-6H3
InChIKeyBLGWOWHUBGCWRZ-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.88
Rot. Bonds5

About ethyl 2-methyl-2-(2-methylbut-3-en-2-ylamino)propanoate

ethyl 2-methyl-2-(2-methylbut-3-en-2-ylamino)propanoate (PubChem CID 134517254) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is ethyl 2-methyl-2-(2-methylbut-3-en-2-ylamino)propanoate.

Molecular Properties

Compound Nameethyl 2-methyl-2-(2-methylbut-3-en-2-ylamino)propanoate
PubChem CID134517254
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Nameethyl 2-methyl-2-(2-methylbut-3-en-2-ylamino)propanoate
SMILESC=CC(C)(C)NC(C)(C)C(=O)OCC
InChIInChI=1S/C11H21NO2/c1-7-10(3,4)12-11(5,6)9(13)14-8-2/h7,12H,1,8H2,2-6H3
InChIKeyBLGWOWHUBGCWRZ-UHFFFAOYSA-N
XLogP1.88
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.88
H-Bond Donors ≤ 51
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 ethyl 2-methyl-2-(2-methylbut-3-en-2-ylamino)propanoate?
The IUPAC name of ethyl 2-methyl-2-(2-methylbut-3-en-2-ylamino)propanoate (CID 134517254) is ethyl 2-methyl-2-(2-methylbut-3-en-2-ylamino)propanoate.
What is the SMILES notation for ethyl 2-methyl-2-(2-methylbut-3-en-2-ylamino)propanoate?
The canonical SMILES for ethyl 2-methyl-2-(2-methylbut-3-en-2-ylamino)propanoate is C=CC(C)(C)NC(C)(C)C(=O)OCC.
What is the InChIKey of ethyl 2-methyl-2-(2-methylbut-3-en-2-ylamino)propanoate?
The InChIKey is BLGWOWHUBGCWRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-7-10(3,4)12-11(5,6)9(13)14-8-2/h7,12H,1,8H2,2-6H3.
What are the key properties of ethyl 2-methyl-2-(2-methylbut-3-en-2-ylamino)propanoate?
ethyl 2-methyl-2-(2-methylbut-3-en-2-ylamino)propanoate has a molecular weight of 199.29 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-2-(2-methylbut-3-en-2-ylamino)propanoate is sourced from PubChem (CID 134517254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).