3-(3-aminophenyl)propanoic acid

C9H11NO2 — CID 2735406

IUPAC3-(3-aminophenyl)propanoic acid
SMILESNc1cccc(CCC(=O)O)c1
InChIInChI=1S/C9H11NO2/c10-8-3-1-2-7(6-8)4-5-9(11)12/h1-3,6H,4-5,10H2,(H,11,12)
InChIKeySBHFVSXLYOBZKD-UHFFFAOYSA-N
MW165.19 g/mol
LogP1.29
Rot. Bonds3

About 3-(3-aminophenyl)propanoic acid

3-(3-aminophenyl)propanoic acid (PubChem CID 2735406) has the molecular formula C9H11NO2 and a molecular weight of 165.19 g/mol. Its IUPAC name is 3-(3-aminophenyl)propanoic acid.

Molecular Properties

Compound Name3-(3-aminophenyl)propanoic acid
PubChem CID2735406
Molecular FormulaC9H11NO2
Molecular Weight165.19 g/mol
Exact Mass165.08
IUPAC Name3-(3-aminophenyl)propanoic acid
SMILESNc1cccc(CCC(=O)O)c1
InChIInChI=1S/C9H11NO2/c10-8-3-1-2-7(6-8)4-5-9(11)12/h1-3,6H,4-5,10H2,(H,11,12)
InChIKeySBHFVSXLYOBZKD-UHFFFAOYSA-N
XLogP1.29
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.19
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Iopanoic Acid
CID 3735
4-Aminophenylacetic acid
CID 14533
4-Aminophenylalanine
CID 151001
3-(4-Aminophenyl)propionic acid
CID 75451
4-Aminohydratropic acid
CID 43026
p-Amino-DL-phenylalanine hydrate
CID 95174
4-(4-Aminophenyl)butanoic acid
CID 27049
3-(4-Nitrophenyl)propanoic acid
CID 85526
2-(3-Aminophenyl)-3-mercaptopropanoic acid
CID 10214451
Benzenepropanoic acid, 3-amino-alpha-ethyl-2,4,6-triiodo-, (alphaR)-
CID 6604220
2-(4-Aminophenyl)butanoic acid
CID 34655
p-Aminophenylacetic acid ethyl ester
CID 225219

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminophenyl)propanoic acid?
The IUPAC name of 3-(3-aminophenyl)propanoic acid (CID 2735406) is 3-(3-aminophenyl)propanoic acid.
What is the SMILES notation for 3-(3-aminophenyl)propanoic acid?
The canonical SMILES for 3-(3-aminophenyl)propanoic acid is Nc1cccc(CCC(=O)O)c1.
What is the InChIKey of 3-(3-aminophenyl)propanoic acid?
The InChIKey is SBHFVSXLYOBZKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2/c10-8-3-1-2-7(6-8)4-5-9(11)12/h1-3,6H,4-5,10H2,(H,11,12).
What are the key properties of 3-(3-aminophenyl)propanoic acid?
3-(3-aminophenyl)propanoic acid has a molecular weight of 165.19 g/mol, XLogP of 1.29, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminophenyl)propanoic acid is sourced from PubChem (CID 2735406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).