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

C₁₀H₁₉NO₄CAS 714971-28-5217.26 g/mol

Open in Covalent MOL file

Alcohol Carbamate Ether

Properties

Molecular formula: C₁₀H₁₉NO₄
Molar mass: 217.26 g/mol
Exact mass: 217.1314 Da
logP: 0.61Crippen estimate
Polar surface area: 59.0 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 1
Stereocentres: Sin SMILES atom order

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

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

714971-28-5

SMILES

CC(C)(C)OC(=O)N1CCOC[C@@H]1CO

InChIKey

AIQSXVGBMCJQAG-QMMMGPOBSA-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-/m0/s1

Weigh it out

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

Names and synonyms

1 names

3(S)-Hydroxymethyl-4-bocmorpholine

Work with (S)-tert-Butyl 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.

tert-Butyl (3R)-3-(hydroxymethyl)morpholine-4-carboxylate215917-99-0Enantiomer

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

Elsewhere

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