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

C10H15NO3 — CID 22033780

IUPACprop-2-enyl 2-methyl-2-(prop-2-enoylamino)propanoate
SMILESC=CCOC(=O)C(C)(C)NC(=O)C=C
InChIInChI=1S/C10H15NO3/c1-5-7-14-9(13)10(3,4)11-8(12)6-2/h5-6H,1-2,7H2,3-4H3,(H,11,12)
InChIKeyTZVSLPUFIPKTPS-UHFFFAOYSA-N
MW197.23 g/mol
LogP0.80
Rot. Bonds5

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

prop-2-enyl 2-methyl-2-(prop-2-enoylamino)propanoate (PubChem CID 22033780) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is prop-2-enyl 2-methyl-2-(prop-2-enoylamino)propanoate.

Molecular Properties

Compound Nameprop-2-enyl 2-methyl-2-(prop-2-enoylamino)propanoate
PubChem CID22033780
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Nameprop-2-enyl 2-methyl-2-(prop-2-enoylamino)propanoate
SMILESC=CCOC(=O)C(C)(C)NC(=O)C=C
InChIInChI=1S/C10H15NO3/c1-5-7-14-9(13)10(3,4)11-8(12)6-2/h5-6H,1-2,7H2,3-4H3,(H,11,12)
InChIKeyTZVSLPUFIPKTPS-UHFFFAOYSA-N
XLogP0.80
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 50.80
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'}

Analyze prop-2-enyl 2-methyl-2-(prop-2-enoylamino)propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-tert-butylprop-2-enamide;ethyl prop-2-enoate
CID 146290784
N-tert-Butylprop-2-enimidic acid--ethyl 2-methylprop-2-enoate (1/1)
CID 6455531
Ethyl 2-methyl-2-(prop-2-enoylamino)propanoate
CID 12477498
Ethyl 2-(prop-2-enoylamino)prop-2-enoate
CID 18413448
(2-Acetamido-2-methylpropyl) 2-methylprop-2-enoate
CID 18544200
Ethyl 2-(tert-butylamino)-2-oxoacetate;ethyl 2-methylprop-2-enoate
CID 19391810
4-Ethenoxybutyl 2-methyl-2-(prop-2-enoylamino)propanoate
CID 22033774
Prop-2-enyl 2-acetamidoprop-2-enoate
CID 42611566
Methyl 2-methyl-2-(prop-2-enoylamino)propanoate
CID 43700007
2-Cyanoethyl 2-methyl-2-(prop-2-enoylamino)propanoate
CID 53803411
Butyl 2-methyl-2-(prop-2-enoylamino)propanoate
CID 58645004
Prop-2-enyl 2-methyl-2-(2-methylprop-2-enoylamino)propanoate
CID 87243067

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 2-methyl-2-(prop-2-enoylamino)propanoate?
The IUPAC name of prop-2-enyl 2-methyl-2-(prop-2-enoylamino)propanoate (CID 22033780) is prop-2-enyl 2-methyl-2-(prop-2-enoylamino)propanoate.
What is the SMILES notation for prop-2-enyl 2-methyl-2-(prop-2-enoylamino)propanoate?
The canonical SMILES for prop-2-enyl 2-methyl-2-(prop-2-enoylamino)propanoate is C=CCOC(=O)C(C)(C)NC(=O)C=C.
What is the InChIKey of prop-2-enyl 2-methyl-2-(prop-2-enoylamino)propanoate?
The InChIKey is TZVSLPUFIPKTPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3/c1-5-7-14-9(13)10(3,4)11-8(12)6-2/h5-6H,1-2,7H2,3-4H3,(H,11,12).
What are the key properties of prop-2-enyl 2-methyl-2-(prop-2-enoylamino)propanoate?
prop-2-enyl 2-methyl-2-(prop-2-enoylamino)propanoate has a molecular weight of 197.23 g/mol, XLogP of 0.80, 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-(prop-2-enoylamino)propanoate is sourced from PubChem (CID 22033780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).