Afalanine

HCID 2000CAS 10172-89-1
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Basic information

Standard SMILES
CC(=O)NC(Cc1ccccc1)C(=O)O
InChIKey
CBQJSKKFNMDLON-UHFFFAOYSA-N
Molecular formula
C11H13NO3
Average molar mass
207.23 g/mol
Monoisotopic mass
207.08954328

Overview

N-acetylphenylalanine is the N-acetyl derivative of phenylalanine. It has a role as a metabolite and an antidepressant. It is a N-acetyl-amino acid and a phenylalanine derivative.

Names & identifiers

Preferred name
Afalanine
IUPAC
2-acetamido-3-phenylpropanoic acid

Names & synonyms

N-Acetyl-DL-phenylalanine2901-75-9AfalanineAc-DL-Phe-OH2-acetamido-3-phenylpropanoic acidN-Acetyl-D,L-phenylalanine2901-61-3AfalaninaAfalanine [INN]AfalaninumDL-N-Acetyl-3-phenylalanineDL-Phenylalanine, N-acetyl-
Show more names
N-Acetyl-3-phenyl-DL-alanineDL-2-Acetamido-3-phenylpropionic acidAlanine, N-acetyl-3-phenyl-, DL-2-(acetylamino)-3-phenylpropanoic acidDTXSID3045697MFCD00063157NSC-43242FFW2NGO18S

Database identifiers

CAS
10172-89-1、2018-61-3、2901-75-9
PubChem CID
2000
DTXSID
DTXSID3045697
ChEMBL
CHEMBL134570
ChEBI
CHEBI:21626
UNII
FFW2NGO18S
EC Number
220-793-9
Nikkaji
J27.568I

Properties

Computed structural properties

XLogP
0.6
Topological polar surface area
66.4 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
3
Rotatable bonds
4
Heavy atoms
15

Experimental & physicochemical properties

Collision Cross Section146.9 Ų [M-H]- [CCS Type: DT; Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]

Related reactions

22 records
New reaction record

Linked notes

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