2-methylpropyl 2-methyl-2-(prop-2-enoylamino)propanoate

C11H19NO3 — CID 170269486

IUPAC2-methylpropyl 2-methyl-2-(prop-2-enoylamino)propanoate
SMILESC=CC(=O)NC(C)(C)C(=O)OCC(C)C
InChIInChI=1S/C11H19NO3/c1-6-9(13)12-11(4,5)10(14)15-7-8(2)3/h6,8H,1,7H2,2-5H3,(H,12,13)
InChIKeyOWTPIHPMHKVTQG-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.27
Rot. Bonds5

About 2-methylpropyl 2-methyl-2-(prop-2-enoylamino)propanoate

2-methylpropyl 2-methyl-2-(prop-2-enoylamino)propanoate (PubChem CID 170269486) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 2-methylpropyl 2-methyl-2-(prop-2-enoylamino)propanoate.

Molecular Properties

Compound Name2-methylpropyl 2-methyl-2-(prop-2-enoylamino)propanoate
PubChem CID170269486
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name2-methylpropyl 2-methyl-2-(prop-2-enoylamino)propanoate
SMILESC=CC(=O)NC(C)(C)C(=O)OCC(C)C
InChIInChI=1S/C11H19NO3/c1-6-9(13)12-11(4,5)10(14)15-7-8(2)3/h6,8H,1,7H2,2-5H3,(H,12,13)
InChIKeyOWTPIHPMHKVTQG-UHFFFAOYSA-N
XLogP1.27
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-Acetylamino-2-methylbut-3-enoic acid, ethyl ester
CID 550995
Ethyl 2-methyl-2-(prop-2-enoylamino)propanoate
CID 12477498
2-Methyl-2-(prop-2-enoylamino)propanoate
CID 19018280
4-Ethenoxybutyl 2-methyl-2-(prop-2-enoylamino)propanoate
CID 22033774
Prop-2-enyl 2-methyl-2-(prop-2-enoylamino)propanoate
CID 22033780
Methyl 2-methyl-2-(prop-2-enoylamino)propanoate
CID 43700007
Butan-2-yl 2-methyl-2-(2-methylprop-2-enoylamino)propanoate
CID 53704159
2-Cyanoethyl 2-methyl-2-(prop-2-enoylamino)propanoate
CID 53803411
Butyl 2-methyl-2-(prop-2-enoylamino)propanoate
CID 58645004
[3-Acetyloxy-2-(acetyloxymethyl)-2-(prop-2-enoylamino)propyl] acetate
CID 59012783
Prop-2-enyl 2-methyl-2-(2-methylprop-2-enoylamino)propanoate
CID 87243067
4-Prop-2-enoyloxybutyl 2-methyl-2-(prop-2-enoylamino)propanoate
CID 87326522

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 2-methyl-2-(prop-2-enoylamino)propanoate?
The IUPAC name of 2-methylpropyl 2-methyl-2-(prop-2-enoylamino)propanoate (CID 170269486) is 2-methylpropyl 2-methyl-2-(prop-2-enoylamino)propanoate.
What is the SMILES notation for 2-methylpropyl 2-methyl-2-(prop-2-enoylamino)propanoate?
The canonical SMILES for 2-methylpropyl 2-methyl-2-(prop-2-enoylamino)propanoate is C=CC(=O)NC(C)(C)C(=O)OCC(C)C.
What is the InChIKey of 2-methylpropyl 2-methyl-2-(prop-2-enoylamino)propanoate?
The InChIKey is OWTPIHPMHKVTQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-6-9(13)12-11(4,5)10(14)15-7-8(2)3/h6,8H,1,7H2,2-5H3,(H,12,13).
What are the key properties of 2-methylpropyl 2-methyl-2-(prop-2-enoylamino)propanoate?
2-methylpropyl 2-methyl-2-(prop-2-enoylamino)propanoate has a molecular weight of 213.28 g/mol, XLogP of 1.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 2-methyl-2-(prop-2-enoylamino)propanoate is sourced from PubChem (CID 170269486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).