9-Fluorenylmethyloxycarbonyl-D-Ser(t-butyl)-OH

C₂₂H₂₅NO₅CAS 128107-47-1383.44 g/mol

Open in Covalent MOL file

Carbamate Carboxylic acid Ether

Properties

Molecular formula: C₂₂H₂₅NO₅
Molar mass: 383.44 g/mol
Exact mass: 383.1733 Da
logP: 3.79Crippen estimate
Polar surface area: 84.9 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 6
Stereocentres: Rin SMILES atom order

Hazards

Warning

H315 Causes skin irritation33.3% of notifiers
H319 Causes serious eye irritation33.3% of notifiers
H335 May cause respiratory irritation33.3% of notifiers

Aggregated from 3 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

128107-47-1

SMILES

CC(C)(C)OC[C@H](C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13

InChIKey

REITVGIIZHFVGU-LJQANCHMSA-N

InChI

InChI=1S/C22H25NO5/c1-22(2,3)28-13-19(20(24)25)23-21(26)27-12-18-16-10-6-4-8-14(16)15-9-5-7-11-17(15)18/h4-11,18-19H,12-13H2,1-3H3,(H,23,26)(H,24,25)/t19-/m1/s1

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

Names and synonyms

1 names

Fmoc-O-tert-butyl-D-serine

Work with 9-Fluorenylmethyloxycarbonyl-D-Ser(t-butyl)-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.

N-(9-Fluorenylmethoxycarbonyl)-O-tert-butylserine71989-33-8Enantiomer

Similar compounds

Fmoc-D-aspartic acid beta-tert-butyl ester112883-39-375 % similar Fmoc-D-ser(trt)-oh212688-51-275 % similar Fmoc-T-butyl-L-alanine139551-74-975 % similar N-Fmoc-N'-boc-L-2,3-diaminopropionic acid162558-25-074 % similar Fmoc-D-dap(boc)-oh198544-42-274 % similar Boc-asp(ofm)-oh117014-32-172 % similar Boc-dap(fmoc)-oh122235-70-572 % similar (2S)-2-(9H-Fluoren-9-ylmethoxycarbonylamino)butanoic acid135112-27-572 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Nalpha-fmoc-L-serine tert-butyl ester110797-35-8

Elsewhere

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