chempirical

(2S,4S)-4-(tert-Butoxy)-1-[(9H-fluoren-9-ylmethoxy)carbonyl]pyrrolidine-2-carboxylic acid

C24H27NO5CAS 464193-92-8409.48 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
S, Sin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
464193-92-8
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-BTYIYWSLSA-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-/m0/s1

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Names and synonyms

1 names
  • Fmoc-D-hyp(tbu)-oh

Work with (2S,4S)-4-(tert-Butoxy)-1-[(9H-fluoren-9-ylmethoxy)carbonyl]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

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.

Fmoc-hyp(tbu)-oh122996-47-8Diastereomer

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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