tert-Butyl (2S)-2-(hydroxymethyl)morpholine-4-carboxylate

C₁₀H₁₉NO₄CAS 135065-76-8217.26 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

H302 Harmful if swallowed66.7% of notifiers
H312 Harmful in contact with skin66.7% of notifiers
H315 Causes skin irritation33.3% of notifiers
H319 Causes serious eye irritation33.3% of notifiers
H332 Harmful if inhaled66.7% 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, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

135065-76-8

SMILES

CC(C)(C)OC(=O)N1CCO[C@@H](C1)CO

InChIKey

FJYBLMJHXRWDAQ-QMMMGPOBSA-N

InChI

InChI=1S/C10H19NO4/c1-10(2,3)15-9(13)11-4-5-14-8(6-11)7-12/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

(S)-N-Boc-2-hydroxymethylmorpholine

Work with tert-Butyl (2S)-2-(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.

(R)-N-Boc-2-hydroxymethylmorpholine135065-71-3Enantiomer tert-Butyl 2-(hydroxymethyl)morpholine-4-carboxylate135065-69-9Stereo not defined

Similar compounds

tert-Butyl 2-(aminomethyl)morpholine-4-carboxylate140645-53-071 % similar (S)-N-Boc-2-aminomethylmorpholine879403-42-671 % similar tert-Butyl 3-(hydroxymethyl)pyrrolidine-1-carboxylate114214-69-662 % similar tert-Butyl (3R)-3-(hydroxymethyl)pyrrolidine-1-carboxylate138108-72-262 % similar (S)-3-Hydroxymethyl-pyrrolidine-1-carboxylic acid tert-butyl ester199174-24-862 % similar 4-Boc-2-morpholinecarboxylic acid189321-66-261 % similar (R)-4-(tert-Butoxycarbonyl)morpholine-2-carboxylic acid884512-77-061 % similar 1-Boc-azetidine-3-ylmethanol142253-56-360 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Boc-L-valine13734-41-3 Boc-N,2-dimethylalanine146000-39-7 tert-Butyl (3R)-3-(hydroxymethyl)morpholine-4-carboxylate215917-99-0 Boc-D-valine22838-58-0 Boc-5-aminopentanoic acid27219-07-4 Di-tert-butyl-iminodicarboxylate51779-32-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook