3,3-Diphenylalanine

HCID 224969CAS 5425-80-9

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Basic information

Standard SMILES: NC(C(=O)O)C(c1ccccc1)c1ccccc1
InChIKey: PECGVEGMRUZOML-UHFFFAOYSA-N
Molecular formula: C15H15NO2
Average molar mass: 241.28 g/mol

Overview

a conformationally restricted phenylalanine; structure in first source

Names & identifiers

Preferred name: 3,3-Diphenylalanine
IUPAC: 2-amino-3,3-diphenylpropanoic acid

Names & synonyms

62653-26-3JZ0RRY1Q3S3,3-DiphenylalanineRefChem:9105592-amino-3,3-diphenylpropanoic acid2-AMINO-3,3-DIPHENYL-PROPIONIC ACID3,3-DIPHENYL-DL-ALANINEH-DL-Dip-OHDL-3,3-Diphenylalanine2-amino-3,3-diphenylpropionic acidMFCD02259531H-beta,beta-Diphenyl-DL-Ala-OH

Show more names

NSC-139035425-80-9DL-DIPHENYLALANINE2-Amino-3,3-diphenylpropanoicacid(S)-2-Amino-3,3-diphenylpropionic acidNSC13903UNII-JZ0RRY1Q3S|A-Phenyl-D-phenylalanine

Database identifiers

CAS: 5425-80-9、62653-26-3
PubChem CID: 224969
UNII: JZ0RRY1Q3S
Nikkaji: J1.273.523E

Properties

Computed structural properties

XLogP: 0
Topological polar surface area: 63.3 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 4
Heavy atoms: 18
Formal charge: 0
Complexity: 250

Related reactions

10 records

New reaction record

HRID 85982As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 109845As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 151628As productTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 551295As productuspto-grants-2011_05

HRID 808146As reactantTest data from https://doi.org/10.1039/C8SC04228D

HRID 820918As reactantTest data from https://doi.org/10.1039/C8SC04228D

HRID 1208066As reactantTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

HRID 1543475As reactantTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

Linked notes

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