CAS 2708-77-2|CAS 91383-47-0|CAS 91383-48-1|DL-threo-4-Fluoroglutamic acid|2-amino-4-fluoropentanedioic acid|2-amino-4-fluoropentanedioic acid|DL-erythro-4-Fluoroglutamic acid|4-Fluoro-DL-glutamic a...

General Information

Structure

Molecular Formula

C₅H₈FNO₄

Molecular Mass

165.1197232

Exact Mass

165.04373596

Charge

InChI

InChI=1S/C5H8FNO4/c6-2(4(8)9)1-3(7)5(10)11/h2-3H,1,7H2,(H,8,9)(H,10,11)

InChIKey

JPSHPWJJSVEEAX-UHFFFAOYSA-N

Canonic Smiles

OC(=O)C(CC(C(=O)O)F)N

Isomeric Smiles

C(C(C(=O)O)N)C(C(=O)O)F

Calculated Properties

JChem

Acid pKa

1.7786096

H Acceptors

H Donor

LogD (pH = 5.5)

-5.10562

LogD (pH = 7.4)

-6.579975

Log P

-3.3532505

Molar Refractivity

31.0442

Polarizability

12.607549

Polar Surface Area

100.62

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Synonyms

DL-threo-4-Fluoroglutamic acidDL-erythro-4-Fluoroglutamic acid4-Fluoro-DL-glutamic acid4-Fluoro-DL-glutamic acid, erythro + threoH-4-F-DL-Glu-OH(±)-2-氨基-4-氟戊二酸(±)-2-Amino-4-fluoroglutaric acid4-Fluoro-DL-glutamic acid4-氟-DL-谷氨酸4-氟-DL-谷氨酸, 苏式赤式混合物4-Fluoro-DL-glutamic acid 98%2-Amino-4-fluoropentane-1,5-dioic acid

IUPAC Traditional name

2-amino-4-fluoropentanedioic acid

IUPAC name

2-amino-4-fluoropentanedioic acid

Names and Identifiers

Registration numbers

EC Number

220-302-8

MDL Number

MFCD00055778MFCD00153162MFCD00153159

Beilstein Number

19474775254612