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

Hazards

Warning

H315 Causes skin irritation97.5% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation97.5% of notifiers

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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 3-Cyclopentane-L-alanine99295-82-655 % similar L-Cyclohexylalanine27527-05-553 % similar H-D-Cha-oh58717-02-553 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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