3-(2-aminophenyl)-2-hydroxypropanoic acid;hydrochloride

C9H12ClNO3 — CID 54602670

IUPAC3-(2-aminophenyl)-2-hydroxypropanoic acid;hydrochloride
SMILESCl.Nc1ccccc1CC(O)C(=O)O
InChIInChI=1S/C9H11NO3.ClH/c10-7-4-2-1-3-6(7)5-8(11)9(12)13;/h1-4,8,11H,5,10H2,(H,12,13);1H
InChIKeyZPQCBXVYWNOYRN-UHFFFAOYSA-N
MW217.65 g/mol
LogP0.68
Rot. Bonds3

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

3-(2-aminophenyl)-2-hydroxypropanoic acid;hydrochloride (PubChem CID 54602670) has the molecular formula C9H12ClNO3 and a molecular weight of 217.65 g/mol. Its IUPAC name is 3-(2-aminophenyl)-2-hydroxypropanoic acid;hydrochloride.

Molecular Properties

Compound Name3-(2-aminophenyl)-2-hydroxypropanoic acid;hydrochloride
PubChem CID54602670
Molecular FormulaC9H12ClNO3
Molecular Weight217.65 g/mol
Exact Mass217.05
IUPAC Name3-(2-aminophenyl)-2-hydroxypropanoic acid;hydrochloride
SMILESCl.Nc1ccccc1CC(O)C(=O)O
InChIInChI=1S/C9H11NO3.ClH/c10-7-4-2-1-3-6(7)5-8(11)9(12)13;/h1-4,8,11H,5,10H2,(H,12,13);1H
InChIKeyZPQCBXVYWNOYRN-UHFFFAOYSA-N
XLogP0.68
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.65
LogP ≤ 50.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-(2-aminophenyl)-2-hydroxypropanoic acid;hydrochloride?
The IUPAC name of 3-(2-aminophenyl)-2-hydroxypropanoic acid;hydrochloride (CID 54602670) is 3-(2-aminophenyl)-2-hydroxypropanoic acid;hydrochloride.
What is the SMILES notation for 3-(2-aminophenyl)-2-hydroxypropanoic acid;hydrochloride?
The canonical SMILES for 3-(2-aminophenyl)-2-hydroxypropanoic acid;hydrochloride is Cl.Nc1ccccc1CC(O)C(=O)O.
What is the InChIKey of 3-(2-aminophenyl)-2-hydroxypropanoic acid;hydrochloride?
The InChIKey is ZPQCBXVYWNOYRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3.ClH/c10-7-4-2-1-3-6(7)5-8(11)9(12)13;/h1-4,8,11H,5,10H2,(H,12,13);1H.
What are the key properties of 3-(2-aminophenyl)-2-hydroxypropanoic acid;hydrochloride?
3-(2-aminophenyl)-2-hydroxypropanoic acid;hydrochloride has a molecular weight of 217.65 g/mol, XLogP of 0.68, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminophenyl)-2-hydroxypropanoic acid;hydrochloride is sourced from PubChem (CID 54602670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).