tert-Butyl (3R)-3-(hydroxymethyl)morpholine-4-carboxylate

C10H19NO4CAS 215917-99-0217.26 g/mol

Open in Covalent MOL file
OONOOH
AlcoholCarbamateEther

Properties

Molecular formula
C10H19NO4
Molar mass
217.26 g/mol
Exact mass
217.1314 Da
logP
0.61Crippen estimate
Polar surface area
59.0 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
1
Stereocentres
Rin SMILES atom order

Hazards

Danger
Acute Toxic (GHS06)

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P316, P321, P330, P405, P501

Identifiers

CAS number
215917-99-0
SMILES
CC(C)(C)OC(=O)N1CCOC[C@H]1CO
InChIKey
AIQSXVGBMCJQAG-MRVPVSSYSA-N
InChI
InChI=1S/C10H19NO4/c1-10(2,3)15-9(13)11-4-5-14-7-8(11)6-12/h8,12H,4-7H2,1-3H3/t8-/m1/s1

Weigh it out

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

Work with tert-Butyl (3R)-3-(hydroxymethyl)morpholine-4-carboxylate

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.

(S)-tert-Butyl 3-(hydroxymethyl)morpholine-4-carboxylate714971-28-5Enantiomer

Similar compounds

3-Aminomethyl-4-boc-morpholine475106-18-471 % similar tert-Butyl (2S)-2-(hydroxymethyl)azetidine-1-carboxylate161511-85-969 % similar tert-Butyl 2-(hydroxymethyl)azetidine-1-carboxylate174346-82-869 % similar tert-Butyl 2-(hydroxymethyl)pyrrolidine-1-carboxylate170491-63-166 % similar (S)-(-)-1-Boc-2-pyrrolidinemethanol69610-40-866 % similar N-(tert-Butoxycarbonyl)-D-prolinol83435-58-966 % similar N-Boc-piperidine-2-methanol157634-00-964 % similar tert-Butyl 2-(hydroxymethyl)piperazine-1-carboxylate205434-75-961 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

tert-Butyl 2-(hydroxymethyl)morpholine-4-carboxylate135065-69-9 (R)-N-Boc-2-hydroxymethylmorpholine135065-71-3 tert-Butyl (2S)-2-(hydroxymethyl)morpholine-4-carboxylate135065-76-8 Boc-L-valine13734-41-3 Boc-N,2-dimethylalanine146000-39-7 Boc-D-valine22838-58-0 Boc-5-aminopentanoic acid27219-07-4 Di-tert-butyl-iminodicarboxylate51779-32-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook