3-(2-ethenylanilino)propanoic acid

C11H13NO2 — CID 174297472

IUPAC3-(2-ethenylanilino)propanoic acid
SMILESC=Cc1ccccc1NCCC(=O)O
InChIInChI=1S/C11H13NO2/c1-2-9-5-3-4-6-10(9)12-8-7-11(13)14/h2-6,12H,1,7-8H2,(H,13,14)
InChIKeyFBDDWAHDKLGXEY-UHFFFAOYSA-N
MW191.23 g/mol
LogP2.22
Rot. Bonds5

About 3-(2-ethenylanilino)propanoic acid

3-(2-ethenylanilino)propanoic acid (PubChem CID 174297472) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is 3-(2-ethenylanilino)propanoic acid.

Molecular Properties

Compound Name3-(2-ethenylanilino)propanoic acid
PubChem CID174297472
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name3-(2-ethenylanilino)propanoic acid
SMILESC=Cc1ccccc1NCCC(=O)O
InChIInChI=1S/C11H13NO2/c1-2-9-5-3-4-6-10(9)12-8-7-11(13)14/h2-6,12H,1,7-8H2,(H,13,14)
InChIKeyFBDDWAHDKLGXEY-UHFFFAOYSA-N
XLogP2.22
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-ethenylanilino)propanoic acid?
The IUPAC name of 3-(2-ethenylanilino)propanoic acid (CID 174297472) is 3-(2-ethenylanilino)propanoic acid.
What is the SMILES notation for 3-(2-ethenylanilino)propanoic acid?
The canonical SMILES for 3-(2-ethenylanilino)propanoic acid is C=Cc1ccccc1NCCC(=O)O.
What is the InChIKey of 3-(2-ethenylanilino)propanoic acid?
The InChIKey is FBDDWAHDKLGXEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c1-2-9-5-3-4-6-10(9)12-8-7-11(13)14/h2-6,12H,1,7-8H2,(H,13,14).
What are the key properties of 3-(2-ethenylanilino)propanoic acid?
3-(2-ethenylanilino)propanoic acid has a molecular weight of 191.23 g/mol, XLogP of 2.22, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethenylanilino)propanoic acid is sourced from PubChem (CID 174297472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).