chempirical

2-Hydroxymethylmorpholine-4-carboxylic acid tert-butyl ester

C10H19NO4CAS 135065-69-9217.26 g/mol

Open in Covalent MOL file
OONOHO
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

Identifiers

CAS number
135065-69-9
SMILES
CC(C)(C)OC(=O)N1CCOC(CO)C1
InChIKey
FJYBLMJHXRWDAQ-UHFFFAOYSA-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

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Names and synonyms

3 names
  • 4-Morpholinecarboxylic acid, 2-(hydroxymethyl)-, 1,1-dimethylethyl ester
  • tert-Butyl 2-(hydroxymethyl)-4-morpholinecarboxylate
  • N-tert-Butoxycarbonyl-2-(hydroxymethyl)morpholine

Work with 2-Hydroxymethylmorpholine-4-carboxylic acid tert-butyl ester

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

Similar compounds

tert-Butyl 3-(hydroxymethyl)pyrrolidine-1-carboxylate114214-69-662 % similar N-Boc-piperidine-3-methanol116574-71-159 % similar 1,1-Dimethylethyl (3S)-3-(hydroxymethyl)-1-piperazinecarboxylate314741-40-758 % similar N-Boc-4-piperidinemethanol123855-51-657 % similar (S)-3-Hydroxypyrrolidine-1-carboxylic acid tert-butyl ester101469-92-553 % similar 3-Hydroxypyrrolidine-1-carboxylic acid tert-butyl ester103057-44-953 % similar tert-Butyl (3R)-3-hydroxypyrrolidine-1-carboxylate109431-87-053 % similar 1-(1,1-Dimethylethyl) (3R)-1,3-pyrrolidinedicarboxylate72925-16-753 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

(R)-N-Boc-2-hydroxymethylmorpholine135065-71-3 tert-Butyl (2S)-2-(hydroxymethyl)morpholine-4-carboxylate135065-76-8 Boc-L-valine13734-41-3 Di-tert-butyl-iminodicarboxylate51779-32-9 1,1-Dimethylethyl (2S,4R)-4-hydroxy-2-(hydroxymethyl)-1-pyrrolidinecarboxylate61478-26-0 N-[(1S)-1-Carboxyethyl]-L-norvaline 1-ethyl ester82834-12-6

Elsewhere

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