2-(3-aminophenyl)propanoic acid;hydrochloride

C9H12ClNO2 — CID 66932928

IUPAC2-(3-aminophenyl)propanoic acid;hydrochloride
SMILESCC(C(=O)O)c1cccc(N)c1.Cl
InChIInChI=1S/C9H11NO2.ClH/c1-6(9(11)12)7-3-2-4-8(10)5-7;/h2-6H,10H2,1H3,(H,11,12);1H
InChIKeyVWLZNQBBNYGASV-UHFFFAOYSA-N
MW201.65 g/mol
LogP1.88
Rot. Bonds2

About 2-(3-aminophenyl)propanoic acid;hydrochloride

2-(3-aminophenyl)propanoic acid;hydrochloride (PubChem CID 66932928) has the molecular formula C9H12ClNO2 and a molecular weight of 201.65 g/mol. Its IUPAC name is 2-(3-aminophenyl)propanoic acid;hydrochloride.

Molecular Properties

Compound Name2-(3-aminophenyl)propanoic acid;hydrochloride
PubChem CID66932928
Molecular FormulaC9H12ClNO2
Molecular Weight201.65 g/mol
Exact Mass201.06
IUPAC Name2-(3-aminophenyl)propanoic acid;hydrochloride
SMILESCC(C(=O)O)c1cccc(N)c1.Cl
InChIInChI=1S/C9H11NO2.ClH/c1-6(9(11)12)7-3-2-4-8(10)5-7;/h2-6H,10H2,1H3,(H,11,12);1H
InChIKeyVWLZNQBBNYGASV-UHFFFAOYSA-N
XLogP1.88
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.65
LogP ≤ 51.88
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;hydrochloride?
The IUPAC name of 2-(3-aminophenyl)propanoic acid;hydrochloride (CID 66932928) is 2-(3-aminophenyl)propanoic acid;hydrochloride.
What is the SMILES notation for 2-(3-aminophenyl)propanoic acid;hydrochloride?
The canonical SMILES for 2-(3-aminophenyl)propanoic acid;hydrochloride is CC(C(=O)O)c1cccc(N)c1.Cl.
What is the InChIKey of 2-(3-aminophenyl)propanoic acid;hydrochloride?
The InChIKey is VWLZNQBBNYGASV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2.ClH/c1-6(9(11)12)7-3-2-4-8(10)5-7;/h2-6H,10H2,1H3,(H,11,12);1H.
What are the key properties of 2-(3-aminophenyl)propanoic acid;hydrochloride?
2-(3-aminophenyl)propanoic acid;hydrochloride has a molecular weight of 201.65 g/mol, XLogP of 1.88, 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;hydrochloride is sourced from PubChem (CID 66932928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).