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

C21H20ClNO2 — CID 70131876

IUPAC(2S)-2-amino-3-[4-(4-phenylphenyl)phenyl]propanoic acid;hydrochloride
SMILESCl.N[C@@H](Cc1ccc(-c2ccc(-c3ccccc3)cc2)cc1)C(=O)O
InChIInChI=1S/C21H19NO2.ClH/c22-20(21(23)24)14-15-6-8-17(9-7-15)19-12-10-18(11-13-19)16-4-2-1-3-5-16;/h1-13,20H,14,22H2,(H,23,24);1H/t20-;/m0./s1
InChIKeyUXBISSFVMUZRLL-BDQAORGHSA-N
MW353.85 g/mol
LogP4.40
Rot. Bonds5

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

(2S)-2-amino-3-[4-(4-phenylphenyl)phenyl]propanoic acid;hydrochloride (PubChem CID 70131876) has the molecular formula C21H20ClNO2 and a molecular weight of 353.85 g/mol. Its IUPAC name is (2S)-2-amino-3-[4-(4-phenylphenyl)phenyl]propanoic acid;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-3-[4-(4-phenylphenyl)phenyl]propanoic acid;hydrochloride
PubChem CID70131876
Molecular FormulaC21H20ClNO2
Molecular Weight353.85 g/mol
Exact Mass353.12
IUPAC Name(2S)-2-amino-3-[4-(4-phenylphenyl)phenyl]propanoic acid;hydrochloride
SMILESCl.N[C@@H](Cc1ccc(-c2ccc(-c3ccccc3)cc2)cc1)C(=O)O
InChIInChI=1S/C21H19NO2.ClH/c22-20(21(23)24)14-15-6-8-17(9-7-15)19-12-10-18(11-13-19)16-4-2-1-3-5-16;/h1-13,20H,14,22H2,(H,23,24);1H/t20-;/m0./s1
InChIKeyUXBISSFVMUZRLL-BDQAORGHSA-N
XLogP4.40
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.85
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-3-phenylpropanoic acid;1,1'-biphenyl
CID 67133421
(3R)-3-amino-4-(4-phenylphenyl)butan-2-one
CID 159098025
3-amino-4-(4-phenylphenyl)butan-2-one;ethane
CID 176709550
2-amino-3-(4-phenylphenyl)propanoic acid;(2S)-2-[2-[(1S)-1-carboxy-2-phenylethyl]hydrazinyl]-3-phenylpropanoic acid
CID 66615741
(2S)-2-amino-3-((613C)cyclohexatrienyl)propanoic acid
CID 66995721
2-amino-3-[4-(4-chlorophenyl)phenyl]propanoic acid;hydrochloride
CID 70052889
alumane;2-amino-3-phenylpropanoic acid;zirconium;hydrochloride
CID 173334199
(2S)-2-amino-3-phenylpropanoic acid;azane
CID 163512949
2-amino-3-phenylpropanoic acid;azane
CID 174393642
(2S)-2-amino-3-phenylpropanoic acid;niobium
CID 175055112
(2S)-2-amino-3-phenylpropanoic acid;λ2-stannane
CID 175107963
(2S)-2-amino-3-phenylpropanoic acid;astatane
CID 174857071

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-[4-(4-phenylphenyl)phenyl]propanoic acid;hydrochloride?
The IUPAC name of (2S)-2-amino-3-[4-(4-phenylphenyl)phenyl]propanoic acid;hydrochloride (CID 70131876) is (2S)-2-amino-3-[4-(4-phenylphenyl)phenyl]propanoic acid;hydrochloride.
What is the SMILES notation for (2S)-2-amino-3-[4-(4-phenylphenyl)phenyl]propanoic acid;hydrochloride?
The canonical SMILES for (2S)-2-amino-3-[4-(4-phenylphenyl)phenyl]propanoic acid;hydrochloride is Cl.N[C@@H](Cc1ccc(-c2ccc(-c3ccccc3)cc2)cc1)C(=O)O.
What is the InChIKey of (2S)-2-amino-3-[4-(4-phenylphenyl)phenyl]propanoic acid;hydrochloride?
The InChIKey is UXBISSFVMUZRLL-BDQAORGHSA-N. The full InChI is InChI=1S/C21H19NO2.ClH/c22-20(21(23)24)14-15-6-8-17(9-7-15)19-12-10-18(11-13-19)16-4-2-1-3-5-16;/h1-13,20H,14,22H2,(H,23,24);1H/t20-;/m0./s1.
What are the key properties of (2S)-2-amino-3-[4-(4-phenylphenyl)phenyl]propanoic acid;hydrochloride?
(2S)-2-amino-3-[4-(4-phenylphenyl)phenyl]propanoic acid;hydrochloride has a molecular weight of 353.85 g/mol, XLogP of 4.40, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-[4-(4-phenylphenyl)phenyl]propanoic acid;hydrochloride is sourced from PubChem (CID 70131876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).