2-(3-aminoprop-2-enyl)benzoic acid

C10H11NO2 — CID 66692932

IUPAC2-(3-aminoprop-2-enyl)benzoic acid
SMILESNC=CCc1ccccc1C(=O)O
InChIInChI=1S/C10H11NO2/c11-7-3-5-8-4-1-2-6-9(8)10(12)13/h1-4,6-7H,5,11H2,(H,12,13)
InChIKeyMPYMBAMDVYIRGM-UHFFFAOYSA-N
MW177.20 g/mol
LogP1.40
Rot. Bonds3

About 2-(3-aminoprop-2-enyl)benzoic acid

2-(3-aminoprop-2-enyl)benzoic acid (PubChem CID 66692932) has the molecular formula C10H11NO2 and a molecular weight of 177.20 g/mol. Its IUPAC name is 2-(3-aminoprop-2-enyl)benzoic acid.

Molecular Properties

Compound Name2-(3-aminoprop-2-enyl)benzoic acid
PubChem CID66692932
Molecular FormulaC10H11NO2
Molecular Weight177.20 g/mol
Exact Mass177.08
IUPAC Name2-(3-aminoprop-2-enyl)benzoic acid
SMILESNC=CCc1ccccc1C(=O)O
InChIInChI=1S/C10H11NO2/c11-7-3-5-8-4-1-2-6-9(8)10(12)13/h1-4,6-7H,5,11H2,(H,12,13)
InChIKeyMPYMBAMDVYIRGM-UHFFFAOYSA-N
XLogP1.40
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(E)-but-2-enyl]benzoic acid
CID 11217549
2-[2-(3-aminoprop-2-enyl)phenyl]acetic acid
CID 66815445
2-prop-2-enylbenzoic acid
CID 2752991
2-ethylbenzoic acid;tungsten
CID 23518478
2-[(E)-3-(4-fluorophenyl)prop-2-enyl]benzoic acid
CID 122391746
formaldehyde;phthalic acid
CID 174659618
[2-(3-aminoprop-2-enyl)phenyl] carbamate
CID 69028728
methanediol;phthalic acid
CID 70525231
CID 66717184
CID 66717184
hydron;phthalic acid
CID 67386665
phthalic acid;hydrobromide
CID 71236392
2-oxoethyl benzoate;2-(2-oxoethyl)benzoic acid
CID 175793695

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminoprop-2-enyl)benzoic acid?
The IUPAC name of 2-(3-aminoprop-2-enyl)benzoic acid (CID 66692932) is 2-(3-aminoprop-2-enyl)benzoic acid.
What is the SMILES notation for 2-(3-aminoprop-2-enyl)benzoic acid?
The canonical SMILES for 2-(3-aminoprop-2-enyl)benzoic acid is NC=CCc1ccccc1C(=O)O.
What is the InChIKey of 2-(3-aminoprop-2-enyl)benzoic acid?
The InChIKey is MPYMBAMDVYIRGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2/c11-7-3-5-8-4-1-2-6-9(8)10(12)13/h1-4,6-7H,5,11H2,(H,12,13).
What are the key properties of 2-(3-aminoprop-2-enyl)benzoic acid?
2-(3-aminoprop-2-enyl)benzoic acid has a molecular weight of 177.20 g/mol, XLogP of 1.40, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminoprop-2-enyl)benzoic acid is sourced from PubChem (CID 66692932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).