(2S,4R)-1-(((9H-Fluoren-9-yl)methoxy)carbonyl)-4-fluoropyrrolidine-2-carboxylic acid

C₂₀H₁₈FNO₄CAS 203866-20-0355.37 g/mol

Open in Covalent MOL file

Alkyl halide Carbamate Carboxylic acid

Properties

Molecular formula: C₂₀H₁₈FNO₄
Molar mass: 355.37 g/mol
Exact mass: 355.1220 Da
logP: 3.43Crippen estimate
Polar surface area: 66.8 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 3
Stereocentres: R, Sin SMILES atom order

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

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

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

203866-20-0

SMILES

C1[C@H](CN([C@@H]1C(=O)O)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)F

InChIKey

CJEQUGHYFSTTQT-XIKOKIGWSA-N

InChI

InChI=1S/C20H18FNO4/c21-12-9-18(19(23)24)22(10-12)20(25)26-11-17-15-7-3-1-5-13(15)14-6-2-4-8-16(14)17/h1-8,12,17-18H,9-11H2,(H,23,24)/t12-,18+/m1/s1

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Names and synonyms

1 names

Fmoc-trans-4-fluoro-pro-oh

Work with (2S,4R)-1-(((9H-Fluoren-9-yl)methoxy)carbonyl)-4-fluoropyrrolidine-2-carboxylic 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

(4S)-1-Fmoc-4-methyl-L-proline1228577-03-475 % similar Fmoc-L-hydroxyproline88050-17-375 % similar (S)-N-Fmoc-azetidine-2-carboxylic acid136552-06-267 % similar Fmoc-hyp(tbu)-oh122996-47-867 % similar Fmoc-hyp(bzl)-oh174800-02-367 % similar (2S,4S)-4-(tert-Butoxy)-1-[(9H-fluoren-9-ylmethoxy)carbonyl]pyrrolidine-2-carboxylic acid464193-92-867 % similar (2R)-1-((9H-Fluoren-9-ylmethoxy)carbonyl)pyrrolidine-2-carboxylic acid101555-62-865 % similar Fmoc-pro-OH71989-31-665 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(S)-1-(4-Fluorophenyl)-5-(2-oxo-4-phenyloxazolidin-3-yl)pentane-1,5-dione189028-93-1

Elsewhere

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