HomeMCPWorkbenchSkills
HomeWorkbenchNotificationsMe
llms.txt · MCP GuidePrivacy Policy · Terms of Service · Supportv1.8.0
  1. Home
  2. /Compound

3,3-Diphenylalanine

HCID 224969
New noteNew reactionRequest quotes
Print preview

Completing data — refresh the page later to see the latest

Basic informationOverviewNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
5425-80-9
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 propertiesFilling in

XLogP
0
Topological polar surface area
63.3 Ų
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 85982 reaction equation
HRID 85982As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 109845 reaction equation
HRID 109845As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 151628 reaction equation
HRID 151628As productTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 551295 reaction equation
HRID 551295As productuspto-grants-2011_05
HRID 808146 reaction equation
HRID 808146As reactantTest data from https://doi.org/10.1039/C8SC04228D
HRID 820918 reaction equation
HRID 820918As reactantTest data from https://doi.org/10.1039/C8SC04228D
HRID 1208066 reaction equation
HRID 1208066As reactantTraining data from https://doi.org/10.1039/C8SC04228D (5/10)
HRID 1543475 reaction equation
HRID 1543475As reactantTraining data from https://doi.org/10.1039/C8SC04228D (1/10)
Page 1 of 2

Compound notes

Loading…

On this pageBasic informationOverviewNames & identifiersPropertiesRelated reactionsCompound notes
More actions
New noteNew reactionRequest quotes