prop-2-enyl 2-methyl-2-(2-methylprop-2-enoylamino)propanoate

C11H17NO3 — CID 87243067

IUPACprop-2-enyl 2-methyl-2-(2-methylprop-2-enoylamino)propanoate
SMILESC=CCOC(=O)C(C)(C)NC(=O)C(=C)C
InChIInChI=1S/C11H17NO3/c1-6-7-15-10(14)11(4,5)12-9(13)8(2)3/h6H,1-2,7H2,3-5H3,(H,12,13)
InChIKeyDCQMRYLDMFHURO-UHFFFAOYSA-N
MW211.26 g/mol
LogP1.19
Rot. Bonds5

About prop-2-enyl 2-methyl-2-(2-methylprop-2-enoylamino)propanoate

prop-2-enyl 2-methyl-2-(2-methylprop-2-enoylamino)propanoate (PubChem CID 87243067) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is prop-2-enyl 2-methyl-2-(2-methylprop-2-enoylamino)propanoate.

Molecular Properties

Compound Nameprop-2-enyl 2-methyl-2-(2-methylprop-2-enoylamino)propanoate
PubChem CID87243067
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Nameprop-2-enyl 2-methyl-2-(2-methylprop-2-enoylamino)propanoate
SMILESC=CCOC(=O)C(C)(C)NC(=O)C(=C)C
InChIInChI=1S/C11H17NO3/c1-6-7-15-10(14)11(4,5)12-9(13)8(2)3/h6H,1-2,7H2,3-5H3,(H,12,13)
InChIKeyDCQMRYLDMFHURO-UHFFFAOYSA-N
XLogP1.19
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-tert-Butylprop-2-enimidic acid--ethyl 2-methylprop-2-enoate (1/1)
CID 6455531
N-tert-butylprop-2-enamide;methyl 2-methylprop-2-enoate
CID 88285334
Ethyl 2-methyl-2-(prop-2-enoylamino)propanoate
CID 12477498
(2-Acetamido-2-methylpropyl) 2-methylprop-2-enoate
CID 18544200
Ethyl 2-(tert-butylamino)-2-oxoacetate;ethyl 2-methylprop-2-enoate
CID 19391810
Prop-2-enyl 2-methyl-2-(prop-2-enoylamino)propanoate
CID 22033780
Butan-2-yl 2-methyl-2-(2-methylprop-2-enoylamino)propanoate
CID 53704159
Butyl 2-methyl-2-(prop-2-enoylamino)propanoate
CID 58645004
[2-Ethyl-2-(prop-2-enoylamino)butyl] prop-2-enoate
CID 60048016
Prop-2-enyl 2-[(2-cyanoacetyl)amino]-2-methylpropanoate
CID 87308161
4-Prop-2-enoyloxybutyl 2-methyl-2-(prop-2-enoylamino)propanoate
CID 87326522
(2-Acetamido-2-methyl-3-prop-2-enoyloxypropyl) prop-2-enoate
CID 87427721

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 2-methyl-2-(2-methylprop-2-enoylamino)propanoate?
The IUPAC name of prop-2-enyl 2-methyl-2-(2-methylprop-2-enoylamino)propanoate (CID 87243067) is prop-2-enyl 2-methyl-2-(2-methylprop-2-enoylamino)propanoate.
What is the SMILES notation for prop-2-enyl 2-methyl-2-(2-methylprop-2-enoylamino)propanoate?
The canonical SMILES for prop-2-enyl 2-methyl-2-(2-methylprop-2-enoylamino)propanoate is C=CCOC(=O)C(C)(C)NC(=O)C(=C)C.
What is the InChIKey of prop-2-enyl 2-methyl-2-(2-methylprop-2-enoylamino)propanoate?
The InChIKey is DCQMRYLDMFHURO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3/c1-6-7-15-10(14)11(4,5)12-9(13)8(2)3/h6H,1-2,7H2,3-5H3,(H,12,13).
What are the key properties of prop-2-enyl 2-methyl-2-(2-methylprop-2-enoylamino)propanoate?
prop-2-enyl 2-methyl-2-(2-methylprop-2-enoylamino)propanoate has a molecular weight of 211.26 g/mol, XLogP of 1.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 2-methyl-2-(2-methylprop-2-enoylamino)propanoate is sourced from PubChem (CID 87243067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).