methyl (3R)-3-amino-3-(4-phenylphenyl)propanoate

C16H17NO2 — CID 29059463

IUPACmethyl (3R)-3-amino-3-(4-phenylphenyl)propanoate
SMILESCOC(=O)C[C@@H](N)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C16H17NO2/c1-19-16(18)11-15(17)14-9-7-13(8-10-14)12-5-3-2-4-6-12/h2-10,15H,11,17H2,1H3/t15-/m1/s1
InChIKeyFAOYZMMSUOXJNE-OAHLLOKOSA-N
MW255.32 g/mol
LogP2.92
Rot. Bonds4

About methyl (3R)-3-amino-3-(4-phenylphenyl)propanoate

methyl (3R)-3-amino-3-(4-phenylphenyl)propanoate (PubChem CID 29059463) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is methyl (3R)-3-amino-3-(4-phenylphenyl)propanoate.

Molecular Properties

Compound Namemethyl (3R)-3-amino-3-(4-phenylphenyl)propanoate
PubChem CID29059463
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Namemethyl (3R)-3-amino-3-(4-phenylphenyl)propanoate
SMILESCOC(=O)C[C@@H](N)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C16H17NO2/c1-19-16(18)11-15(17)14-9-7-13(8-10-14)12-5-3-2-4-6-12/h2-10,15H,11,17H2,1H3/t15-/m1/s1
InChIKeyFAOYZMMSUOXJNE-OAHLLOKOSA-N
XLogP2.92
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl (3R)-3-amino-3-(4-phenylphenyl)propanoate?
The IUPAC name of methyl (3R)-3-amino-3-(4-phenylphenyl)propanoate (CID 29059463) is methyl (3R)-3-amino-3-(4-phenylphenyl)propanoate.
What is the SMILES notation for methyl (3R)-3-amino-3-(4-phenylphenyl)propanoate?
The canonical SMILES for methyl (3R)-3-amino-3-(4-phenylphenyl)propanoate is COC(=O)C[C@@H](N)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of methyl (3R)-3-amino-3-(4-phenylphenyl)propanoate?
The InChIKey is FAOYZMMSUOXJNE-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H17NO2/c1-19-16(18)11-15(17)14-9-7-13(8-10-14)12-5-3-2-4-6-12/h2-10,15H,11,17H2,1H3/t15-/m1/s1.
What are the key properties of methyl (3R)-3-amino-3-(4-phenylphenyl)propanoate?
methyl (3R)-3-amino-3-(4-phenylphenyl)propanoate has a molecular weight of 255.32 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R)-3-amino-3-(4-phenylphenyl)propanoate is sourced from PubChem (CID 29059463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).