ethyl 2-methyl-2-[methyl(2-methylprop-2-enoyl)amino]propanoate

C11H19NO3 — CID 174385530

IUPACethyl 2-methyl-2-[methyl(2-methylprop-2-enoyl)amino]propanoate
SMILESC=C(C)C(=O)N(C)C(C)(C)C(=O)OCC
InChIInChI=1S/C11H19NO3/c1-7-15-10(14)11(4,5)12(6)9(13)8(2)3/h2,7H2,1,3-6H3
InChIKeyGPHDODNUPJTLNP-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.36
Rot. Bonds4

About ethyl 2-methyl-2-[methyl(2-methylprop-2-enoyl)amino]propanoate

ethyl 2-methyl-2-[methyl(2-methylprop-2-enoyl)amino]propanoate (PubChem CID 174385530) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is ethyl 2-methyl-2-[methyl(2-methylprop-2-enoyl)amino]propanoate.

Molecular Properties

Compound Nameethyl 2-methyl-2-[methyl(2-methylprop-2-enoyl)amino]propanoate
PubChem CID174385530
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Nameethyl 2-methyl-2-[methyl(2-methylprop-2-enoyl)amino]propanoate
SMILESC=C(C)C(=O)N(C)C(C)(C)C(=O)OCC
InChIInChI=1S/C11H19NO3/c1-7-15-10(14)11(4,5)12(6)9(13)8(2)3/h2,7H2,1,3-6H3
InChIKeyGPHDODNUPJTLNP-UHFFFAOYSA-N
XLogP1.36
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-methyl-2-[methyl(2-methylpropyl)amino]propanoate
CID 115128719
N,2-dimethyl-N-(2,4,4-trimethylpentan-2-yl)prop-2-enamide
CID 87313202
CID 23599189
CID 23599189
ethyl 3-(dimethylamino)-2,2-dimethylpropanoate
CID 129270991
diethyl 2-[(Z)-but-2-en-2-yl]-2-methylpropanedioate
CID 92524239
ethyl 2-methylprop-2-enoate
CID 130475774
ethyl 2,2-dimethylpropanoate;hydrochloride
CID 141019550
ethyl (2R)-2-hydroxy-2-methyl-3-oxobutanoate
CID 101013682
ethyl 4-(dimethylamino)-2-hydroxy-2-methyl-4-oxobutanoate
CID 87491131
ethyl 2-methyl-2-[methyl(4-methylpentyl)amino]propanoate
CID 115128915
ethyl 3-methyl-3-(2-methylprop-2-enoyloxy)butanoate
CID 138654943
ethane;ethyl 2-bromo-2-methylpropanoate
CID 142239978

Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-2-[methyl(2-methylprop-2-enoyl)amino]propanoate?
The IUPAC name of ethyl 2-methyl-2-[methyl(2-methylprop-2-enoyl)amino]propanoate (CID 174385530) is ethyl 2-methyl-2-[methyl(2-methylprop-2-enoyl)amino]propanoate.
What is the SMILES notation for ethyl 2-methyl-2-[methyl(2-methylprop-2-enoyl)amino]propanoate?
The canonical SMILES for ethyl 2-methyl-2-[methyl(2-methylprop-2-enoyl)amino]propanoate is C=C(C)C(=O)N(C)C(C)(C)C(=O)OCC.
What is the InChIKey of ethyl 2-methyl-2-[methyl(2-methylprop-2-enoyl)amino]propanoate?
The InChIKey is GPHDODNUPJTLNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-7-15-10(14)11(4,5)12(6)9(13)8(2)3/h2,7H2,1,3-6H3.
What are the key properties of ethyl 2-methyl-2-[methyl(2-methylprop-2-enoyl)amino]propanoate?
ethyl 2-methyl-2-[methyl(2-methylprop-2-enoyl)amino]propanoate has a molecular weight of 213.28 g/mol, XLogP of 1.36, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-2-[methyl(2-methylprop-2-enoyl)amino]propanoate is sourced from PubChem (CID 174385530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).