3-(3-aminophenyl)propanoic acid;hydrochloride

C9H12ClNO2 — CID 24721048

IUPAC3-(3-aminophenyl)propanoic acid;hydrochloride
SMILESCl.Nc1cccc(CCC(=O)O)c1
InChIInChI=1S/C9H11NO2.ClH/c10-8-3-1-2-7(6-8)4-5-9(11)12;/h1-3,6H,4-5,10H2,(H,11,12);1H
InChIKeyQBOBODDISCLHPG-UHFFFAOYSA-N
MW201.65 g/mol
LogP1.71
Rot. Bonds3

About 3-(3-aminophenyl)propanoic acid;hydrochloride

3-(3-aminophenyl)propanoic acid;hydrochloride (PubChem CID 24721048) has the molecular formula C9H12ClNO2 and a molecular weight of 201.65 g/mol. Its IUPAC name is 3-(3-aminophenyl)propanoic acid;hydrochloride.

Molecular Properties

Compound Name3-(3-aminophenyl)propanoic acid;hydrochloride
PubChem CID24721048
Molecular FormulaC9H12ClNO2
Molecular Weight201.65 g/mol
Exact Mass201.06
IUPAC Name3-(3-aminophenyl)propanoic acid;hydrochloride
SMILESCl.Nc1cccc(CCC(=O)O)c1
InChIInChI=1S/C9H11NO2.ClH/c10-8-3-1-2-7(6-8)4-5-9(11)12;/h1-3,6H,4-5,10H2,(H,11,12);1H
InChIKeyQBOBODDISCLHPG-UHFFFAOYSA-N
XLogP1.71
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.65
LogP ≤ 51.71
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 3-(3-aminophenyl)propanoic acid;hydrochloride?
The IUPAC name of 3-(3-aminophenyl)propanoic acid;hydrochloride (CID 24721048) is 3-(3-aminophenyl)propanoic acid;hydrochloride.
What is the SMILES notation for 3-(3-aminophenyl)propanoic acid;hydrochloride?
The canonical SMILES for 3-(3-aminophenyl)propanoic acid;hydrochloride is Cl.Nc1cccc(CCC(=O)O)c1.
What is the InChIKey of 3-(3-aminophenyl)propanoic acid;hydrochloride?
The InChIKey is QBOBODDISCLHPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2.ClH/c10-8-3-1-2-7(6-8)4-5-9(11)12;/h1-3,6H,4-5,10H2,(H,11,12);1H.
What are the key properties of 3-(3-aminophenyl)propanoic acid;hydrochloride?
3-(3-aminophenyl)propanoic acid;hydrochloride has a molecular weight of 201.65 g/mol, XLogP of 1.71, 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;hydrochloride is sourced from PubChem (CID 24721048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).