(2S,4R)-Fmoc-4-amino-1-boc-pyrrolidine-2-carboxylic acid

C₂₅H₂₈N₂O₆CAS 176486-63-8452.51 g/mol

Open in Covalent MOL file

Carbamate Carboxylic acid

Properties

Molecular formula: C₂₅H₂₈N₂O₆
Molar mass: 452.51 g/mol
Exact mass: 452.1947 Da
logP: 3.99Crippen estimate
Polar surface area: 105.2 Å²
H-bond donors / acceptors: 2 / 5
Rotatable bonds: 4
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 2 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

176486-63-8

SMILES

CC(C)(C)OC(=O)N1C[C@@H](C[C@H]1C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24

InChIKey

UPXRTVAIJMUAQR-VFNWGFHPSA-N

InChI

InChI=1S/C25H28N2O6/c1-25(2,3)33-24(31)27-13-15(12-21(27)22(28)29)26-23(30)32-14-20-18-10-6-4-8-16(18)17-9-5-7-11-19(17)20/h4-11,15,20-21H,12-14H2,1-3H3,(H,26,30)(H,28,29)/t15-,21+/m1/s1

Weigh it out

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

Work with (2S,4R)-Fmoc-4-amino-1-boc-pyrrolidine-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

Fmoc-hyp(tbu)-oh122996-47-865 % similar (2S,4S)-4-(tert-Butoxy)-1-[(9H-fluoren-9-ylmethoxy)carbonyl]pyrrolidine-2-carboxylic acid464193-92-865 % similar Fmoc-lys(boc)(isopropyl)-oh201003-48-763 % similar (S)-Alpha-Fmoc-D-Boc-4-Piperidylglycine204058-24-262 % similar (4S)-1-Fmoc-4-methyl-L-proline1228577-03-460 % similar Fmoc-D-aspartic acid beta-tert-butyl ester112883-39-360 % similar Fmoc-lys(boc)(me)-oh951695-85-560 % similar Fmoc-gla(otbu)2-oh111662-64-760 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Fmoc-lys(aloc)-oh146982-27-6 4-Boc-1-fmoc-2-piperazinecarboxylic acid183742-23-6 N-Alpha-allyloxycarbonyl-N-epsilon-(9-fluorenylmethyloxycarbonyl)-L-lysine186350-56-1 N2-((9H-Fluoren-9-ylmethoxy)carbonyl)-N6-((2-propen-1-yloxy)carbonyl)-D-lysine214750-75-1 1-((tert-Butoxy)carbonyl)-4-(((9H-fluoren-9-yl)methoxy)carbonyl)piperazine-2-carboxylic acid218278-58-1 (4S,5R)-3-(Fmoc-ala)-2,2,5-trimethyl-oxazolidine-4-carboxylic acid252554-79-3

Elsewhere

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