phenyl (2R)-2-amino-2-phenylpropanoate

C15H15NO2 — CID 142678159

IUPACphenyl (2R)-2-amino-2-phenylpropanoate
SMILESC[C@](N)(C(=O)Oc1ccccc1)c1ccccc1
InChIInChI=1S/C15H15NO2/c1-15(16,12-8-4-2-5-9-12)14(17)18-13-10-6-3-7-11-13/h2-11H,16H2,1H3/t15-/m1/s1
InChIKeyMMFNJGOPLCUSFC-OAHLLOKOSA-N
MW241.29 g/mol
LogP2.47
Rot. Bonds3

About phenyl (2R)-2-amino-2-phenylpropanoate

phenyl (2R)-2-amino-2-phenylpropanoate (PubChem CID 142678159) has the molecular formula C15H15NO2 and a molecular weight of 241.29 g/mol. Its IUPAC name is phenyl (2R)-2-amino-2-phenylpropanoate.

Molecular Properties

Compound Namephenyl (2R)-2-amino-2-phenylpropanoate
PubChem CID142678159
Molecular FormulaC15H15NO2
Molecular Weight241.29 g/mol
Exact Mass241.11
IUPAC Namephenyl (2R)-2-amino-2-phenylpropanoate
SMILESC[C@](N)(C(=O)Oc1ccccc1)c1ccccc1
InChIInChI=1S/C15H15NO2/c1-15(16,12-8-4-2-5-9-12)14(17)18-13-10-6-3-7-11-13/h2-11H,16H2,1H3/t15-/m1/s1
InChIKeyMMFNJGOPLCUSFC-OAHLLOKOSA-N
XLogP2.47
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

methyl (2R)-2-amino-2-phenylpropanoate;hydrochloride
CID 141027321
phenyl 2-amino-2-methylpropanoate
CID 22002021
phenyl 2-amino-2,2-diphenylacetate
CID 142678162
(2-fluorophenyl) 2-amino-2-phenylpropanoate
CID 174648990
ethyl (2S)-2-amino-2-phenylpropanoate
CID 86615568
benzyl 2-amino-2-phenylpropanoate
CID 54322564
(2R)-2-amino-2-phenylpropanoyl chloride
CID 141365713
phenyl 2-chloro-3-hydroxy-2-methyl-3-phenylbutanoate
CID 10638257
carbonochloridic acid;phenyl 2,2-dimethylpropanoate
CID 174754992
cyclopentyl 2-amino-2-phenylpropanoate
CID 62488557
2-ethoxyethyl 2-amino-2-phenylpropanoate
CID 62488733
diphenyl 2-methyl-2-methylsulfonylpropanedioate
CID 44634248

Frequently Asked Questions

What is the IUPAC name of phenyl (2R)-2-amino-2-phenylpropanoate?
The IUPAC name of phenyl (2R)-2-amino-2-phenylpropanoate (CID 142678159) is phenyl (2R)-2-amino-2-phenylpropanoate.
What is the SMILES notation for phenyl (2R)-2-amino-2-phenylpropanoate?
The canonical SMILES for phenyl (2R)-2-amino-2-phenylpropanoate is C[C@](N)(C(=O)Oc1ccccc1)c1ccccc1.
What is the InChIKey of phenyl (2R)-2-amino-2-phenylpropanoate?
The InChIKey is MMFNJGOPLCUSFC-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H15NO2/c1-15(16,12-8-4-2-5-9-12)14(17)18-13-10-6-3-7-11-13/h2-11H,16H2,1H3/t15-/m1/s1.
What are the key properties of phenyl (2R)-2-amino-2-phenylpropanoate?
phenyl (2R)-2-amino-2-phenylpropanoate has a molecular weight of 241.29 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl (2R)-2-amino-2-phenylpropanoate is sourced from PubChem (CID 142678159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).