2-(3-aminophenyl)propanoic acid

C9H11NO2 — CID 10844766

IUPAC2-(3-aminophenyl)propanoic acid
SMILESCC(C(=O)O)c1cccc(N)c1
InChIInChI=1S/C9H11NO2/c1-6(9(11)12)7-3-2-4-8(10)5-7/h2-6H,10H2,1H3,(H,11,12)
InChIKeyUMVOCNFWVVRKKE-UHFFFAOYSA-N
MW165.19 g/mol
LogP1.46
Rot. Bonds2

About 2-(3-aminophenyl)propanoic acid

2-(3-aminophenyl)propanoic acid (PubChem CID 10844766) has the molecular formula C9H11NO2 and a molecular weight of 165.19 g/mol. Its IUPAC name is 2-(3-aminophenyl)propanoic acid.

Molecular Properties

Compound Name2-(3-aminophenyl)propanoic acid
PubChem CID10844766
Molecular FormulaC9H11NO2
Molecular Weight165.19 g/mol
Exact Mass165.08
IUPAC Name2-(3-aminophenyl)propanoic acid
SMILESCC(C(=O)O)c1cccc(N)c1
InChIInChI=1S/C9H11NO2/c1-6(9(11)12)7-3-2-4-8(10)5-7/h2-6H,10H2,1H3,(H,11,12)
InChIKeyUMVOCNFWVVRKKE-UHFFFAOYSA-N
XLogP1.46
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.19
LogP ≤ 51.46
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-aminophenyl)propanoic acid?
The IUPAC name of 2-(3-aminophenyl)propanoic acid (CID 10844766) is 2-(3-aminophenyl)propanoic acid.
What is the SMILES notation for 2-(3-aminophenyl)propanoic acid?
The canonical SMILES for 2-(3-aminophenyl)propanoic acid is CC(C(=O)O)c1cccc(N)c1.
What is the InChIKey of 2-(3-aminophenyl)propanoic acid?
The InChIKey is UMVOCNFWVVRKKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2/c1-6(9(11)12)7-3-2-4-8(10)5-7/h2-6H,10H2,1H3,(H,11,12).
What are the key properties of 2-(3-aminophenyl)propanoic acid?
2-(3-aminophenyl)propanoic acid has a molecular weight of 165.19 g/mol, XLogP of 1.46, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminophenyl)propanoic acid is sourced from PubChem (CID 10844766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).