2-amino-3-(2-benzylphenyl)propanoic acid;hydrochloride

C16H18ClNO2 — CID 70054981

IUPAC2-amino-3-(2-benzylphenyl)propanoic acid;hydrochloride
SMILESCl.NC(Cc1ccccc1Cc1ccccc1)C(=O)O
InChIInChI=1S/C16H17NO2.ClH/c17-15(16(18)19)11-14-9-5-4-8-13(14)10-12-6-2-1-3-7-12;/h1-9,15H,10-11,17H2,(H,18,19);1H
InChIKeyKLMHGDUNRFQKSA-UHFFFAOYSA-N
MW291.78 g/mol
LogP2.65
Rot. Bonds5

About 2-amino-3-(2-benzylphenyl)propanoic acid;hydrochloride

2-amino-3-(2-benzylphenyl)propanoic acid;hydrochloride (PubChem CID 70054981) has the molecular formula C16H18ClNO2 and a molecular weight of 291.78 g/mol. Its IUPAC name is 2-amino-3-(2-benzylphenyl)propanoic acid;hydrochloride.

Molecular Properties

Compound Name2-amino-3-(2-benzylphenyl)propanoic acid;hydrochloride
PubChem CID70054981
Molecular FormulaC16H18ClNO2
Molecular Weight291.78 g/mol
Exact Mass291.10
IUPAC Name2-amino-3-(2-benzylphenyl)propanoic acid;hydrochloride
SMILESCl.NC(Cc1ccccc1Cc1ccccc1)C(=O)O
InChIInChI=1S/C16H17NO2.ClH/c17-15(16(18)19)11-14-9-5-4-8-13(14)10-12-6-2-1-3-7-12;/h1-9,15H,10-11,17H2,(H,18,19);1H
InChIKeyKLMHGDUNRFQKSA-UHFFFAOYSA-N
XLogP2.65
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(2-benzylphenyl)propanoic acid;hydrochloride?
The IUPAC name of 2-amino-3-(2-benzylphenyl)propanoic acid;hydrochloride (CID 70054981) is 2-amino-3-(2-benzylphenyl)propanoic acid;hydrochloride.
What is the SMILES notation for 2-amino-3-(2-benzylphenyl)propanoic acid;hydrochloride?
The canonical SMILES for 2-amino-3-(2-benzylphenyl)propanoic acid;hydrochloride is Cl.NC(Cc1ccccc1Cc1ccccc1)C(=O)O.
What is the InChIKey of 2-amino-3-(2-benzylphenyl)propanoic acid;hydrochloride?
The InChIKey is KLMHGDUNRFQKSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2.ClH/c17-15(16(18)19)11-14-9-5-4-8-13(14)10-12-6-2-1-3-7-12;/h1-9,15H,10-11,17H2,(H,18,19);1H.
What are the key properties of 2-amino-3-(2-benzylphenyl)propanoic acid;hydrochloride?
2-amino-3-(2-benzylphenyl)propanoic acid;hydrochloride has a molecular weight of 291.78 g/mol, XLogP of 2.65, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(2-benzylphenyl)propanoic acid;hydrochloride is sourced from PubChem (CID 70054981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).