2-amino-3-[4-(2-fluorophenyl)phenyl]propanoic acid;hydrochloride

C15H15ClFNO2 — CID 118157927

IUPAC2-amino-3-[4-(2-fluorophenyl)phenyl]propanoic acid;hydrochloride
SMILESCl.NC(Cc1ccc(-c2ccccc2F)cc1)C(=O)O
InChIInChI=1S/C15H14FNO2.ClH/c16-13-4-2-1-3-12(13)11-7-5-10(6-8-11)9-14(17)15(18)19;/h1-8,14H,9,17H2,(H,18,19);1H
InChIKeyRULDONWSMNZNPG-UHFFFAOYSA-N
MW295.74 g/mol
LogP2.87
Rot. Bonds4

About 2-amino-3-[4-(2-fluorophenyl)phenyl]propanoic acid;hydrochloride

2-amino-3-[4-(2-fluorophenyl)phenyl]propanoic acid;hydrochloride (PubChem CID 118157927) has the molecular formula C15H15ClFNO2 and a molecular weight of 295.74 g/mol. Its IUPAC name is 2-amino-3-[4-(2-fluorophenyl)phenyl]propanoic acid;hydrochloride.

Molecular Properties

Compound Name2-amino-3-[4-(2-fluorophenyl)phenyl]propanoic acid;hydrochloride
PubChem CID118157927
Molecular FormulaC15H15ClFNO2
Molecular Weight295.74 g/mol
Exact Mass295.08
IUPAC Name2-amino-3-[4-(2-fluorophenyl)phenyl]propanoic acid;hydrochloride
SMILESCl.NC(Cc1ccc(-c2ccccc2F)cc1)C(=O)O
InChIInChI=1S/C15H14FNO2.ClH/c16-13-4-2-1-3-12(13)11-7-5-10(6-8-11)9-14(17)15(18)19;/h1-8,14H,9,17H2,(H,18,19);1H
InChIKeyRULDONWSMNZNPG-UHFFFAOYSA-N
XLogP2.87
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.74
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-3-[4-(4-phenylphenyl)phenyl]propanoic acid;hydrochloride
CID 70131876
(2S)-2-amino-3-[4-(2-methylphenyl)phenyl]propanoic acid;hydrochloride
CID 131883874
2-amino-3-[4-(2,4-difluorophenyl)phenyl]propanoic acid
CID 170879935
(2S)-2-amino-3-[4-[2-(trifluoromethoxy)phenyl]phenyl]propanoic acid
CID 150225443
(2S)-2-amino-3-((613C)cyclohexatrienyl)propanoic acid
CID 66995721
(2S)-2-amino-3-[3-(2-fluorophenyl)-5-(phosphonomethyl)phenyl]propanoic acid
CID 11792349
2-amino-3-[4-(4-chlorophenyl)phenyl]propanoic acid;hydrochloride
CID 70052889
(2S)-2-amino-3-(4-fluorophenyl)propanoic acid
CID 716312
alumane;2-amino-3-phenylpropanoic acid;zirconium;hydrochloride
CID 173334199
(2S)-2-amino-3-phenylpropanoic acid;1,1'-biphenyl
CID 67133421
2-amino-3-(3,4-difluoro-5-phenylphenyl)propanoic acid
CID 117443881
(2S)-2-amino-3-phenylpropanoic acid;azane
CID 163512949

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[4-(2-fluorophenyl)phenyl]propanoic acid;hydrochloride?
The IUPAC name of 2-amino-3-[4-(2-fluorophenyl)phenyl]propanoic acid;hydrochloride (CID 118157927) is 2-amino-3-[4-(2-fluorophenyl)phenyl]propanoic acid;hydrochloride.
What is the SMILES notation for 2-amino-3-[4-(2-fluorophenyl)phenyl]propanoic acid;hydrochloride?
The canonical SMILES for 2-amino-3-[4-(2-fluorophenyl)phenyl]propanoic acid;hydrochloride is Cl.NC(Cc1ccc(-c2ccccc2F)cc1)C(=O)O.
What is the InChIKey of 2-amino-3-[4-(2-fluorophenyl)phenyl]propanoic acid;hydrochloride?
The InChIKey is RULDONWSMNZNPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO2.ClH/c16-13-4-2-1-3-12(13)11-7-5-10(6-8-11)9-14(17)15(18)19;/h1-8,14H,9,17H2,(H,18,19);1H.
What are the key properties of 2-amino-3-[4-(2-fluorophenyl)phenyl]propanoic acid;hydrochloride?
2-amino-3-[4-(2-fluorophenyl)phenyl]propanoic acid;hydrochloride has a molecular weight of 295.74 g/mol, XLogP of 2.87, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[4-(2-fluorophenyl)phenyl]propanoic acid;hydrochloride is sourced from PubChem (CID 118157927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).