Fmoc-hyp(tbu)-oh

C24H27NO5CAS 122996-47-8409.48 g/mol

Open in Covalent MOL file
ONOOOOH
CarbamateCarboxylic acidEther

Properties

Molecular formula
C24H27NO5
Molar mass
409.48 g/mol
Exact mass
409.1889 Da
logP
4.28Crippen estimate
Polar surface area
76.1 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
4
Stereocentres
R, Sin SMILES atom order

Hazards

Warning
Irritant (GHS07)

Aggregated from the 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
122996-47-8
SMILES
CC(C)(C)O[C@@H]1C[C@H](N(C1)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)C(=O)O
InChIKey
WPBXBYOKQUEIDW-VFNWGFHPSA-N
InChI
InChI=1S/C24H27NO5/c1-24(2,3)30-15-12-21(22(26)27)25(13-15)23(28)29-14-20-18-10-6-4-8-16(18)17-9-5-7-11-19(17)20/h4-11,15,20-21H,12-14H2,1-3H3,(H,26,27)/t15-,21+/m1/s1

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Work with Fmoc-hyp(tbu)-oh

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

(2S,4S)-4-(tert-Butoxy)-1-[(9H-fluoren-9-ylmethoxy)carbonyl]pyrrolidine-2-carboxylic acid464193-92-8Diastereomer

Similar compounds

(4S)-1-Fmoc-4-methyl-L-proline1228577-03-471 % similar Fmoc-hyp(bzl)-oh174800-02-370 % similar Fmoc-L-hydroxyproline88050-17-368 % similar (2S,4R)-1-(((9H-Fluoren-9-yl)methoxy)carbonyl)-4-fluoropyrrolidine-2-carboxylic acid203866-20-067 % similar 4-Boc-1-fmoc-2-piperazinecarboxylic acid183742-23-665 % similar (2S,4R)-Fmoc-4-amino-1-boc-pyrrolidine-2-carboxylic acid176486-63-865 % similar 1-((tert-Butoxy)carbonyl)-4-(((9H-fluoren-9-yl)methoxy)carbonyl)piperazine-2-carboxylic acid218278-58-163 % similar N-Fmoc-N-methyl-O-tert-butyl-L-serine197632-77-262 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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