chempirical

4-(tert-Butoxycarbonyl)morpholine-3-carboxylic acid

C10H17NO5CAS 212650-43-6231.25 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
212650-43-6
SMILES
CC(C)(C)OC(=O)N1CCOCC1C(=O)O
InChIKey
KVXXEKIGMOEPSA-UHFFFAOYSA-N
InChI
InChI=1S/C10H17NO5/c1-10(2,3)16-9(14)11-4-5-15-6-7(11)8(12)13/h7H,4-6H2,1-3H3,(H,12,13)

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Names and synonyms

5 names
  • 3,4-Morpholinedicarboxylic acid, 4-(1,1-dimethylethyl) ester
  • N-Boc-morpholine-3-carboxylic acid
  • 4-[[(1,1-Dimethylethyl)oxy]carbonyl]-3-morpholinecarboxylic acid
  • Morpholine-3,4-dicarboxylic acid 4-tert-butyl ester
  • 4-Boc-morpholine-3-carboxylic acid

Work with 4-(tert-Butoxycarbonyl)morpholine-3-carboxylic 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

1-[(tert-Butoxy)carbonyl]piperidine-2-carboxylic acid118552-55-965 % similar 1-Boc-2-piperazinecarboxylic acid1214196-85-662 % similar 1-(1,1-Dimethylethyl) (2S)-4-oxo-1,2-pyrrolidinedicarboxylate84348-37-859 % similar 1-(1,1-Dimethylethyl) (2S)-4,4-dimethyl-1,2-pyrrolidinedicarboxylate1001353-87-258 % similar (S)-5-Boc-5-azaspiro[2.4]heptane-6-carboxylic acid1129634-44-157 % similar 1-(1,1-Dimethylethyl) (2S,4S)-4-fluoro-1,2-pyrrolidinedicarboxylate203866-13-155 % similar 1-(1,1-Dimethylethyl) (2S,4R)-4-fluoro-1,2-pyrrolidinedicarboxylate203866-14-255 % similar 1-(1,1-Dimethylethyl) (2S)-4,4-difluoro-1,2-pyrrolidinedicarboxylate203866-15-355 % 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

Elsewhere

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