2-(3-amino-4-ethenylphenyl)acetic acid

C10H11NO2 — CID 54099246

IUPAC2-(3-amino-4-ethenylphenyl)acetic acid
SMILESC=Cc1ccc(CC(=O)O)cc1N
InChIInChI=1S/C10H11NO2/c1-2-8-4-3-7(5-9(8)11)6-10(12)13/h2-5H,1,6,11H2,(H,12,13)
InChIKeyMZJQACHQWNIRGJ-UHFFFAOYSA-N
MW177.20 g/mol
LogP1.54
Rot. Bonds3

About 2-(3-amino-4-ethenylphenyl)acetic acid

2-(3-amino-4-ethenylphenyl)acetic acid (PubChem CID 54099246) has the molecular formula C10H11NO2 and a molecular weight of 177.20 g/mol. Its IUPAC name is 2-(3-amino-4-ethenylphenyl)acetic acid.

Molecular Properties

Compound Name2-(3-amino-4-ethenylphenyl)acetic acid
PubChem CID54099246
Molecular FormulaC10H11NO2
Molecular Weight177.20 g/mol
Exact Mass177.08
IUPAC Name2-(3-amino-4-ethenylphenyl)acetic acid
SMILESC=Cc1ccc(CC(=O)O)cc1N
InChIInChI=1S/C10H11NO2/c1-2-8-4-3-7(5-9(8)11)6-10(12)13/h2-5H,1,6,11H2,(H,12,13)
InChIKeyMZJQACHQWNIRGJ-UHFFFAOYSA-N
XLogP1.54
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 ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-4-ethenylphenyl)acetic acid?
The IUPAC name of 2-(3-amino-4-ethenylphenyl)acetic acid (CID 54099246) is 2-(3-amino-4-ethenylphenyl)acetic acid.
What is the SMILES notation for 2-(3-amino-4-ethenylphenyl)acetic acid?
The canonical SMILES for 2-(3-amino-4-ethenylphenyl)acetic acid is C=Cc1ccc(CC(=O)O)cc1N.
What is the InChIKey of 2-(3-amino-4-ethenylphenyl)acetic acid?
The InChIKey is MZJQACHQWNIRGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2/c1-2-8-4-3-7(5-9(8)11)6-10(12)13/h2-5H,1,6,11H2,(H,12,13).
What are the key properties of 2-(3-amino-4-ethenylphenyl)acetic acid?
2-(3-amino-4-ethenylphenyl)acetic acid has a molecular weight of 177.20 g/mol, XLogP of 1.54, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-4-ethenylphenyl)acetic acid is sourced from PubChem (CID 54099246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).