4-Fluoroglutamic acid

C₅H₈FNO₄CAS 2708-77-2165.12 g/mol

Open in Covalent MOL file

Alkyl halide Carboxylic acid Primary amine

Properties

Molecular formula: C₅H₈FNO₄
Molar mass: 165.12 g/mol
Exact mass: 165.0437 Da
Melting point: 185 °C (decomposes)
logP: -0.79Crippen estimate
Polar surface area: 100.6 Å²
H-bond donors / acceptors: 3 / 3
Rotatable bonds: 4

Identifiers

CAS number

2708-77-2

SMILES

NC(CC(F)C(=O)O)C(=O)O

InChIKey

JPSHPWJJSVEEAX-UHFFFAOYSA-N

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)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

4 names

Glutamic acid, 4-fluoro-
DL-4-Fluoroglutamic acid
4-Fluoro-D,L-glutamic acid
2-Amino-4-fluoropentanedioic acid

Work with 4-Fluoroglutamic acid

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

L-Cyclopropylalanine102735-53-559 % similar D-Cyclopropylalanine121786-39-859 % similar D-Leucine328-38-157 % similar Leucine328-39-257 % similar Leucine61-90-557 % similar D-Serine312-84-552 % similar 2,3-Diaminopropionic acid4033-39-052 % similar 2,3-Diaminopropionic acid515-94-652 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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