3-amino-2-phenylpropanoic acid;hydrochloride

C9H12ClNO2 — CID 12697489

IUPAC3-amino-2-phenylpropanoic acid;hydrochloride
SMILESCl.NCC(C(=O)O)c1ccccc1
InChIInChI=1S/C9H11NO2.ClH/c10-6-8(9(11)12)7-4-2-1-3-5-7;/h1-5,8H,6,10H2,(H,11,12);1H
InChIKeyXXQQHYDQYMUUMP-UHFFFAOYSA-N
MW201.65 g/mol
LogP1.24
Rot. Bonds3

About 3-amino-2-phenylpropanoic acid;hydrochloride

3-amino-2-phenylpropanoic acid;hydrochloride (PubChem CID 12697489) has the molecular formula C9H12ClNO2 and a molecular weight of 201.65 g/mol. Its IUPAC name is 3-amino-2-phenylpropanoic acid;hydrochloride.

Molecular Properties

Compound Name3-amino-2-phenylpropanoic acid;hydrochloride
PubChem CID12697489
Molecular FormulaC9H12ClNO2
Molecular Weight201.65 g/mol
Exact Mass201.06
IUPAC Name3-amino-2-phenylpropanoic acid;hydrochloride
SMILESCl.NCC(C(=O)O)c1ccccc1
InChIInChI=1S/C9H11NO2.ClH/c10-6-8(9(11)12)7-4-2-1-3-5-7;/h1-5,8H,6,10H2,(H,11,12);1H
InChIKeyXXQQHYDQYMUUMP-UHFFFAOYSA-N
XLogP1.24
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 ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-phenylpropanoic acid;hydrochloride?
The IUPAC name of 3-amino-2-phenylpropanoic acid;hydrochloride (CID 12697489) is 3-amino-2-phenylpropanoic acid;hydrochloride.
What is the SMILES notation for 3-amino-2-phenylpropanoic acid;hydrochloride?
The canonical SMILES for 3-amino-2-phenylpropanoic acid;hydrochloride is Cl.NCC(C(=O)O)c1ccccc1.
What is the InChIKey of 3-amino-2-phenylpropanoic acid;hydrochloride?
The InChIKey is XXQQHYDQYMUUMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2.ClH/c10-6-8(9(11)12)7-4-2-1-3-5-7;/h1-5,8H,6,10H2,(H,11,12);1H.
What are the key properties of 3-amino-2-phenylpropanoic acid;hydrochloride?
3-amino-2-phenylpropanoic acid;hydrochloride has a molecular weight of 201.65 g/mol, XLogP of 1.24, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-phenylpropanoic acid;hydrochloride is sourced from PubChem (CID 12697489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).