methyl (2R)-2-amino-2-(3-phenylphenyl)acetate;hydrochloride

C15H16ClNO2 — CID 171234245

IUPACmethyl (2R)-2-amino-2-(3-phenylphenyl)acetate;hydrochloride
SMILESCOC(=O)[C@H](N)c1cccc(-c2ccccc2)c1.Cl
InChIInChI=1S/C15H15NO2.ClH/c1-18-15(17)14(16)13-9-5-8-12(10-13)11-6-3-2-4-7-11;/h2-10,14H,16H2,1H3;1H/t14-;/m1./s1
InChIKeyPCFOMFVSLSZVAO-PFEQFJNWSA-N
MW277.75 g/mol
LogP2.95
Rot. Bonds3

About methyl (2R)-2-amino-2-(3-phenylphenyl)acetate;hydrochloride

methyl (2R)-2-amino-2-(3-phenylphenyl)acetate;hydrochloride (PubChem CID 171234245) has the molecular formula C15H16ClNO2 and a molecular weight of 277.75 g/mol. Its IUPAC name is methyl (2R)-2-amino-2-(3-phenylphenyl)acetate;hydrochloride.

Molecular Properties

Compound Namemethyl (2R)-2-amino-2-(3-phenylphenyl)acetate;hydrochloride
PubChem CID171234245
Molecular FormulaC15H16ClNO2
Molecular Weight277.75 g/mol
Exact Mass277.09
IUPAC Namemethyl (2R)-2-amino-2-(3-phenylphenyl)acetate;hydrochloride
SMILESCOC(=O)[C@H](N)c1cccc(-c2ccccc2)c1.Cl
InChIInChI=1S/C15H15NO2.ClH/c1-18-15(17)14(16)13-9-5-8-12(10-13)11-6-3-2-4-7-11;/h2-10,14H,16H2,1H3;1H/t14-;/m1./s1
InChIKeyPCFOMFVSLSZVAO-PFEQFJNWSA-N
XLogP2.95
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.75
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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(1S)-1-amino-2-methyl-1-phenylpropan-2-ol;methyl (2S)-2-amino-2-phenylacetate
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Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-amino-2-(3-phenylphenyl)acetate;hydrochloride?
The IUPAC name of methyl (2R)-2-amino-2-(3-phenylphenyl)acetate;hydrochloride (CID 171234245) is methyl (2R)-2-amino-2-(3-phenylphenyl)acetate;hydrochloride.
What is the SMILES notation for methyl (2R)-2-amino-2-(3-phenylphenyl)acetate;hydrochloride?
The canonical SMILES for methyl (2R)-2-amino-2-(3-phenylphenyl)acetate;hydrochloride is COC(=O)[C@H](N)c1cccc(-c2ccccc2)c1.Cl.
What is the InChIKey of methyl (2R)-2-amino-2-(3-phenylphenyl)acetate;hydrochloride?
The InChIKey is PCFOMFVSLSZVAO-PFEQFJNWSA-N. The full InChI is InChI=1S/C15H15NO2.ClH/c1-18-15(17)14(16)13-9-5-8-12(10-13)11-6-3-2-4-7-11;/h2-10,14H,16H2,1H3;1H/t14-;/m1./s1.
What are the key properties of methyl (2R)-2-amino-2-(3-phenylphenyl)acetate;hydrochloride?
methyl (2R)-2-amino-2-(3-phenylphenyl)acetate;hydrochloride has a molecular weight of 277.75 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-amino-2-(3-phenylphenyl)acetate;hydrochloride is sourced from PubChem (CID 171234245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).