methyl 3-(2-ethenylanilino)propanoate

C12H15NO2 — CID 174296547

IUPACmethyl 3-(2-ethenylanilino)propanoate
SMILESC=Cc1ccccc1NCCC(=O)OC
InChIInChI=1S/C12H15NO2/c1-3-10-6-4-5-7-11(10)13-9-8-12(14)15-2/h3-7,13H,1,8-9H2,2H3
InChIKeyPWBQMTFVZYOLOX-UHFFFAOYSA-N
MW205.26 g/mol
LogP2.30
Rot. Bonds5

About methyl 3-(2-ethenylanilino)propanoate

methyl 3-(2-ethenylanilino)propanoate (PubChem CID 174296547) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is methyl 3-(2-ethenylanilino)propanoate.

Molecular Properties

Compound Namemethyl 3-(2-ethenylanilino)propanoate
PubChem CID174296547
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Namemethyl 3-(2-ethenylanilino)propanoate
SMILESC=Cc1ccccc1NCCC(=O)OC
InChIInChI=1S/C12H15NO2/c1-3-10-6-4-5-7-11(10)13-9-8-12(14)15-2/h3-7,13H,1,8-9H2,2H3
InChIKeyPWBQMTFVZYOLOX-UHFFFAOYSA-N
XLogP2.30
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-ethenylanilino)propanoic acid
CID 174297472
methyl 3-(2-methylanilino)propanoate
CID 12805940
methyl 3-[2-(aminomethyl)anilino]propanoate
CID 69214017
methyl 3-(2-propan-2-ylanilino)propanoate
CID 43365367
methyl 3-(2-bromo-3-chloroanilino)propanoate
CID 103479005
methyl 4-(2-fluoroanilino)butanoate
CID 43377911
tert-butyl 3-(2-methoxyanilino)propanoate
CID 103231727
methyl 3-(2,5-dimethylanilino)propanoate
CID 12999019
methyl 4-[2-(difluoromethylsulfanyl)anilino]butanoate
CID 43377840
methyl 3-(2-amino-3-ethoxyanilino)propanoate
CID 113392554
methyl 3-(2-methyl-3-nitroanilino)propanoate
CID 63076226
methyl 3-(cinnolin-4-ylamino)propanoate
CID 63588842

Frequently Asked Questions

What is the IUPAC name of methyl 3-(2-ethenylanilino)propanoate?
The IUPAC name of methyl 3-(2-ethenylanilino)propanoate (CID 174296547) is methyl 3-(2-ethenylanilino)propanoate.
What is the SMILES notation for methyl 3-(2-ethenylanilino)propanoate?
The canonical SMILES for methyl 3-(2-ethenylanilino)propanoate is C=Cc1ccccc1NCCC(=O)OC.
What is the InChIKey of methyl 3-(2-ethenylanilino)propanoate?
The InChIKey is PWBQMTFVZYOLOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-3-10-6-4-5-7-11(10)13-9-8-12(14)15-2/h3-7,13H,1,8-9H2,2H3.
What are the key properties of methyl 3-(2-ethenylanilino)propanoate?
methyl 3-(2-ethenylanilino)propanoate has a molecular weight of 205.26 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2-ethenylanilino)propanoate is sourced from PubChem (CID 174296547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).