2-(2,2-dimethylpropanoylamino)ethyl 2-methylprop-2-enoate

C11H19NO3 — CID 90228448

IUPAC2-(2,2-dimethylpropanoylamino)ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCNC(=O)C(C)(C)C
InChIInChI=1S/C11H19NO3/c1-8(2)9(13)15-7-6-12-10(14)11(3,4)5/h1,6-7H2,2-5H3,(H,12,14)
InChIKeySBEXCZAAZQVSOJ-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.27
Rot. Bonds4

About 2-(2,2-dimethylpropanoylamino)ethyl 2-methylprop-2-enoate

2-(2,2-dimethylpropanoylamino)ethyl 2-methylprop-2-enoate (PubChem CID 90228448) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 2-(2,2-dimethylpropanoylamino)ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-(2,2-dimethylpropanoylamino)ethyl 2-methylprop-2-enoate
PubChem CID90228448
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name2-(2,2-dimethylpropanoylamino)ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCNC(=O)C(C)(C)C
InChIInChI=1S/C11H19NO3/c1-8(2)9(13)15-7-6-12-10(14)11(3,4)5/h1,6-7H2,2-5H3,(H,12,14)
InChIKeySBEXCZAAZQVSOJ-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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-(2,2,3,3,3-pentafluoropropanoylamino)ethyl 2-methylprop-2-enoate
CID 91694697
2-(carbonochloridoylamino)ethyl 2-methylprop-2-enoate
CID 18000331
2-[2-[(2-ethyl-2-methylpentanoyl)amino]ethylcarbamoylamino]ethyl 2-methylprop-2-enoate
CID 130348448
2-[(2-methyl-2-pentan-2-yloxypropanoyl)amino]ethyl 2-methylprop-2-enoate
CID 146334641
2-(methoxycarbonylamino)ethyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate
CID 158290359
2-[(4,4-dimethyl-3-oxopentyl)sulfanylcarbonylamino]ethyl 2-methylprop-2-enoate
CID 121300694
2-(2-methoxypropanoylamino)ethyl 2-methylprop-2-enoate
CID 89184726
2-[2-(2-methylprop-2-enoyloxy)ethylcarbamoyloxy]ethyl 2-tert-butyl-3,3-dimethylbutanoate
CID 123465925
2-(2,2,4-trimethylpentan-3-yloxycarbonylamino)ethyl 2-methylprop-2-enoate
CID 166881112
2-(iodoamino)ethyl 2-methylprop-2-enoate
CID 144974054
2-[(2-ethyl-2-methyl-3-oxobutoxy)carbonylamino]ethyl 2-methylprop-2-enoate
CID 58965886
2-[2-[2-(2-methylprop-2-enoyloxy)ethylamino]-2-oxoacetyl]oxyethyl 2,2-dimethylbutanoate
CID 58611640

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpropanoylamino)ethyl 2-methylprop-2-enoate?
The IUPAC name of 2-(2,2-dimethylpropanoylamino)ethyl 2-methylprop-2-enoate (CID 90228448) is 2-(2,2-dimethylpropanoylamino)ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-(2,2-dimethylpropanoylamino)ethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-(2,2-dimethylpropanoylamino)ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCNC(=O)C(C)(C)C.
What is the InChIKey of 2-(2,2-dimethylpropanoylamino)ethyl 2-methylprop-2-enoate?
The InChIKey is SBEXCZAAZQVSOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-8(2)9(13)15-7-6-12-10(14)11(3,4)5/h1,6-7H2,2-5H3,(H,12,14).
What are the key properties of 2-(2,2-dimethylpropanoylamino)ethyl 2-methylprop-2-enoate?
2-(2,2-dimethylpropanoylamino)ethyl 2-methylprop-2-enoate 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 2-(2,2-dimethylpropanoylamino)ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 90228448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).