chempirical

4-Boc-2-morpholinecarboxylic acid

C10H17NO5CAS 189321-66-2231.25 g/mol

Open in Covalent MOL file
OONOOOH
CarbamateCarboxylic acidEther

Properties

Molecular formula
C10H17NO5
Molar mass
231.25 g/mol
Exact mass
231.1107 Da
logP
0.71Crippen estimate
Polar surface area
76.1 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
1

Identifiers

CAS number
189321-66-2
SMILES
CC(C)(C)OC(=O)N1CCOC(C1)C(=O)O
InChIKey
LGWMTRPJZFEWCX-UHFFFAOYSA-N
InChI
InChI=1S/C10H17NO5/c1-10(2,3)16-9(14)11-4-5-15-7(6-11)8(12)13/h7H,4-6H2,1-3H3,(H,12,13)

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Names and synonyms

1 names
  • 4-((tert-Butoxy)carbonyl)morpholine-2-carboxylic acid

Work with 4-Boc-2-morpholinecarboxylic acid

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

(3S)-1-[(tert-Butoxy)carbonyl]pyrrolidine-3-carboxylic acid140148-70-567 % similar 1-(1,1-Dimethylethyl) (3R)-1,3-pyrrolidinedicarboxylate72925-16-767 % similar 1-(1,1-Dimethylethyl) (3R)-1,3-piperidinedicarboxylate163438-09-365 % similar 2-Hydroxymethylmorpholine-4-carboxylic acid tert-butyl ester135065-69-961 % similar (R)-N-Boc-2-hydroxymethylmorpholine135065-71-361 % similar tert-Butyl (2S)-2-(hydroxymethyl)morpholine-4-carboxylate135065-76-861 % similar 1-Boc-azetidine-3-carboxylic acid142253-55-261 % similar 4-[(tert-Butoxy)carbonyl]piperazine-2-carboxylic acid128019-59-059 % similar

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

Same formula

(S)-2-Acetamido-4-(tert-butoxy)-4-oxobutanoic acid117833-18-8 N-Boc-cis-4-hydroxy-D-proline135042-12-5 1-(1,1-Dimethylethyl) (2S,4R)-4-hydroxy-1,2-pyrrolidinedicarboxylate13726-69-7 (2R,4S)-N-Alpha-T-butoxycarbonyl-4-hydroxypyrrolidine-2-carboxylic acid147266-92-0 4-(tert-Butoxycarbonyl)morpholine-3-carboxylic acid212650-43-6

Elsewhere

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