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

C16H18ClNO2 — CID 131883874

IUPAC(2S)-2-amino-3-[4-(2-methylphenyl)phenyl]propanoic acid;hydrochloride
SMILESCc1ccccc1-c1ccc(C[C@H](N)C(=O)O)cc1.Cl
InChIInChI=1S/C16H17NO2.ClH/c1-11-4-2-3-5-14(11)13-8-6-12(7-9-13)10-15(17)16(18)19;/h2-9,15H,10,17H2,1H3,(H,18,19);1H/t15-;/m0./s1
InChIKeyGDZRXYYXKNTEEH-RSAXXLAASA-N
MW291.78 g/mol
LogP3.04
Rot. Bonds4

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

(2S)-2-amino-3-[4-(2-methylphenyl)phenyl]propanoic acid;hydrochloride (PubChem CID 131883874) has the molecular formula C16H18ClNO2 and a molecular weight of 291.78 g/mol. Its IUPAC name is (2S)-2-amino-3-[4-(2-methylphenyl)phenyl]propanoic acid;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-3-[4-(2-methylphenyl)phenyl]propanoic acid;hydrochloride
PubChem CID131883874
Molecular FormulaC16H18ClNO2
Molecular Weight291.78 g/mol
Exact Mass291.10
IUPAC Name(2S)-2-amino-3-[4-(2-methylphenyl)phenyl]propanoic acid;hydrochloride
SMILESCc1ccccc1-c1ccc(C[C@H](N)C(=O)O)cc1.Cl
InChIInChI=1S/C16H17NO2.ClH/c1-11-4-2-3-5-14(11)13-8-6-12(7-9-13)10-15(17)16(18)19;/h2-9,15H,10,17H2,1H3,(H,18,19);1H/t15-;/m0./s1
InChIKeyGDZRXYYXKNTEEH-RSAXXLAASA-N
XLogP3.04
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-3-[4-(2,6-dimethylphenyl)phenyl]propanoic acid
CID 151523268
(2S)-2-amino-3-[4-(4-phenylphenyl)phenyl]propanoic acid;hydrochloride
CID 70131876
2-amino-3-[4-(2-fluorophenyl)phenyl]propanoic acid;hydrochloride
CID 118157927
(2S)-2-amino-3-phenylpropanoic acid;ethanol
CID 129063061
2-amino-3-(4-methylphenyl)propanoic acid;hydrobromide
CID 172898206
(2S)-2-amino-3-phenylpropanoic acid;(2R)-2-amino-3-phenylpropanoic acid;ethane
CID 161384193
2-amino-3-phenylpropanoic acid;ethane
CID 91596942
(2S)-2-amino-3-[4-(4-methoxy-2-methylphenyl)phenyl]propanoic acid
CID 67243066
(2S)-2-amino-3-((613C)cyclohexatrienyl)propanoic acid
CID 66995721
(3R)-3-amino-4-(4-phenylphenyl)butan-2-one
CID 159098025
sodium;(2S)-2-amino-3-(4-methylphenyl)propanoic acid;hydroxide
CID 160538956
alumane;2-amino-3-phenylpropanoic acid;zirconium;hydrochloride
CID 173334199

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-[4-(2-methylphenyl)phenyl]propanoic acid;hydrochloride?
The IUPAC name of (2S)-2-amino-3-[4-(2-methylphenyl)phenyl]propanoic acid;hydrochloride (CID 131883874) is (2S)-2-amino-3-[4-(2-methylphenyl)phenyl]propanoic acid;hydrochloride.
What is the SMILES notation for (2S)-2-amino-3-[4-(2-methylphenyl)phenyl]propanoic acid;hydrochloride?
The canonical SMILES for (2S)-2-amino-3-[4-(2-methylphenyl)phenyl]propanoic acid;hydrochloride is Cc1ccccc1-c1ccc(C[C@H](N)C(=O)O)cc1.Cl.
What is the InChIKey of (2S)-2-amino-3-[4-(2-methylphenyl)phenyl]propanoic acid;hydrochloride?
The InChIKey is GDZRXYYXKNTEEH-RSAXXLAASA-N. The full InChI is InChI=1S/C16H17NO2.ClH/c1-11-4-2-3-5-14(11)13-8-6-12(7-9-13)10-15(17)16(18)19;/h2-9,15H,10,17H2,1H3,(H,18,19);1H/t15-;/m0./s1.
What are the key properties of (2S)-2-amino-3-[4-(2-methylphenyl)phenyl]propanoic acid;hydrochloride?
(2S)-2-amino-3-[4-(2-methylphenyl)phenyl]propanoic acid;hydrochloride has a molecular weight of 291.78 g/mol, XLogP of 3.04, 4 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-(2-methylphenyl)phenyl]propanoic acid;hydrochloride is sourced from PubChem (CID 131883874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).