(2S)-2-amino-3-(4-benzoylphenyl)propanoic acid;hydrochloride

C16H16ClNO3 — CID 156593693

IUPAC(2S)-2-amino-3-(4-benzoylphenyl)propanoic acid;hydrochloride
SMILESCl.N[C@@H](Cc1ccc(C(=O)c2ccccc2)cc1)C(=O)O
InChIInChI=1S/C16H15NO3.ClH/c17-14(16(19)20)10-11-6-8-13(9-7-11)15(18)12-4-2-1-3-5-12;/h1-9,14H,10,17H2,(H,19,20);1H/t14-;/m0./s1
InChIKeyXVJIYFOSPMCXHG-UQKRIMTDSA-N
MW305.76 g/mol
LogP2.29
Rot. Bonds5

About (2S)-2-amino-3-(4-benzoylphenyl)propanoic acid;hydrochloride

(2S)-2-amino-3-(4-benzoylphenyl)propanoic acid;hydrochloride (PubChem CID 156593693) has the molecular formula C16H16ClNO3 and a molecular weight of 305.76 g/mol. Its IUPAC name is (2S)-2-amino-3-(4-benzoylphenyl)propanoic acid;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-3-(4-benzoylphenyl)propanoic acid;hydrochloride
PubChem CID156593693
Molecular FormulaC16H16ClNO3
Molecular Weight305.76 g/mol
Exact Mass305.08
IUPAC Name(2S)-2-amino-3-(4-benzoylphenyl)propanoic acid;hydrochloride
SMILESCl.N[C@@H](Cc1ccc(C(=O)c2ccccc2)cc1)C(=O)O
InChIInChI=1S/C16H15NO3.ClH/c17-14(16(19)20)10-11-6-8-13(9-7-11)15(18)12-4-2-1-3-5-12;/h1-9,14H,10,17H2,(H,19,20);1H/t14-;/m0./s1
InChIKeyXVJIYFOSPMCXHG-UQKRIMTDSA-N
XLogP2.29
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.76
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-3-((613C)cyclohexatrienyl)propanoic acid
CID 66995721
(2S)-2-amino-3-[4-(4-phenylphenyl)phenyl]propanoic acid;hydrochloride
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2-amino-3-phenylpropanoic acid;azane
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(2S)-2-amino-3-phenylpropanoic acid;λ2-stannane
CID 175107963
(2S)-2-amino-3-phenylpropanoic acid;astatane
CID 174857071
(2S)-2-amino-3-phenylpropanoic acid;benzene-1,4-dicarboxamide
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sodium;(2R)-2-amino-3-phenylpropanoic acid;chloride
CID 174870632
CID 70476310
CID 70476310
(2S)-2-amino-3-phenylpropanoic acid;(2R)-2-amino-3-phenylpropanoic acid;ethane
CID 161384193

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-(4-benzoylphenyl)propanoic acid;hydrochloride?
The IUPAC name of (2S)-2-amino-3-(4-benzoylphenyl)propanoic acid;hydrochloride (CID 156593693) is (2S)-2-amino-3-(4-benzoylphenyl)propanoic acid;hydrochloride.
What is the SMILES notation for (2S)-2-amino-3-(4-benzoylphenyl)propanoic acid;hydrochloride?
The canonical SMILES for (2S)-2-amino-3-(4-benzoylphenyl)propanoic acid;hydrochloride is Cl.N[C@@H](Cc1ccc(C(=O)c2ccccc2)cc1)C(=O)O.
What is the InChIKey of (2S)-2-amino-3-(4-benzoylphenyl)propanoic acid;hydrochloride?
The InChIKey is XVJIYFOSPMCXHG-UQKRIMTDSA-N. The full InChI is InChI=1S/C16H15NO3.ClH/c17-14(16(19)20)10-11-6-8-13(9-7-11)15(18)12-4-2-1-3-5-12;/h1-9,14H,10,17H2,(H,19,20);1H/t14-;/m0./s1.
What are the key properties of (2S)-2-amino-3-(4-benzoylphenyl)propanoic acid;hydrochloride?
(2S)-2-amino-3-(4-benzoylphenyl)propanoic acid;hydrochloride has a molecular weight of 305.76 g/mol, XLogP of 2.29, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-(4-benzoylphenyl)propanoic acid;hydrochloride is sourced from PubChem (CID 156593693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).