Afalanine

HCID 178951614CAS 2901-61-3
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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

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
English name
Ac-DL-Phe-OH
Molecular formula
C11H13NO3
Molecular weight
207.23

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
2-ACETYLAMINO-3-PHENYL-PROPIONIC ACIDN-AC-DL-Phe-OHAC-DL-PHENYLALANINEAC-DL-PHE-OH USP/EP/BPACETYL-DL-PHENYLALANINEN-ALPHA-ACETYL-DL-PHENYLALANINE
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
2901-61-3
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)]

Physicochemical properties

Hazard Codes
Xi
WGK Germany
3 · 3
HazardClass
IRRITANT

Safety & regulation

Safety data

wgk
3
hazard_code
Xi
hazard_class
IRRITANT

Chemistry & industry

Suppliers10 total

江苏生康迈翔科技有限公司18217475093 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
上海安化生物技术有限公司021-61263375 18168859245
无锡亚肽生物科技有限公司0510-83583050 13771062561 · [email protected]

Additional notes

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

Related reactions

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