3-[2-(3-aminoprop-1-enyl)phenyl]propanoic acid

C12H15NO2 — CID 169464036

IUPAC3-[2-(3-aminoprop-1-enyl)phenyl]propanoic acid
SMILESNCC=Cc1ccccc1CCC(=O)O
InChIInChI=1S/C12H15NO2/c13-9-3-6-10-4-1-2-5-11(10)7-8-12(14)15/h1-6H,7-9,13H2,(H,14,15)
InChIKeyMAZQIOQIOKNFDW-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.68
Rot. Bonds5

About 3-[2-(3-aminoprop-1-enyl)phenyl]propanoic acid

3-[2-(3-aminoprop-1-enyl)phenyl]propanoic acid (PubChem CID 169464036) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 3-[2-(3-aminoprop-1-enyl)phenyl]propanoic acid.

Molecular Properties

Compound Name3-[2-(3-aminoprop-1-enyl)phenyl]propanoic acid
PubChem CID169464036
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name3-[2-(3-aminoprop-1-enyl)phenyl]propanoic acid
SMILESNCC=Cc1ccccc1CCC(=O)O
InChIInChI=1S/C12H15NO2/c13-9-3-6-10-4-1-2-5-11(10)7-8-12(14)15/h1-6H,7-9,13H2,(H,14,15)
InChIKeyMAZQIOQIOKNFDW-UHFFFAOYSA-N
XLogP1.68
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-aminoprop-1-enyl)phenyl]propanoic acid?
The IUPAC name of 3-[2-(3-aminoprop-1-enyl)phenyl]propanoic acid (CID 169464036) is 3-[2-(3-aminoprop-1-enyl)phenyl]propanoic acid.
What is the SMILES notation for 3-[2-(3-aminoprop-1-enyl)phenyl]propanoic acid?
The canonical SMILES for 3-[2-(3-aminoprop-1-enyl)phenyl]propanoic acid is NCC=Cc1ccccc1CCC(=O)O.
What is the InChIKey of 3-[2-(3-aminoprop-1-enyl)phenyl]propanoic acid?
The InChIKey is MAZQIOQIOKNFDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c13-9-3-6-10-4-1-2-5-11(10)7-8-12(14)15/h1-6H,7-9,13H2,(H,14,15).
What are the key properties of 3-[2-(3-aminoprop-1-enyl)phenyl]propanoic acid?
3-[2-(3-aminoprop-1-enyl)phenyl]propanoic acid has a molecular weight of 205.26 g/mol, XLogP of 1.68, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-aminoprop-1-enyl)phenyl]propanoic acid is sourced from PubChem (CID 169464036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).