chempirical

4-Boc-3(R)-morpholinecarboxylic acid

C10H17NO5CAS 869681-70-9231.25 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
Stereocentres
Rin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
869681-70-9
SMILES
CC(C)(C)OC(=O)N1CCOC[C@@H]1C(=O)O
InChIKey
KVXXEKIGMOEPSA-SSDOTTSWSA-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)/t7-/m1/s1

Weigh it out

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

Names and synonyms

1 names
  • (3R)-4-(tert-Butoxycarbonyl)morpholine-3-carboxylic acid

Work with 4-Boc-3(R)-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

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.

4-(tert-Butoxycarbonyl)morpholine-3-carboxylic acid212650-43-6Stereo not defined

Similar compounds

1-[(tert-Butoxy)carbonyl]azetidine-2-carboxylic acid159749-28-770 % similar Boc-D-azetidine-2-carboxylic acid228857-58-770 % similar 1-Boc-L-azetidine-2-carboxylic acid51077-14-670 % similar Boc-L-proline15761-39-467 % similar (2R)-1-[(tert-Butoxy)carbonyl]pyrrolidine-2-carboxylic acid37784-17-167 % similar 1-[(tert-Butoxy)carbonyl]pyrrolidine-2-carboxylic acid59433-50-067 % similar 1-[(tert-Butoxy)carbonyl]piperidine-2-carboxylic acid118552-55-965 % similar (2S)-1-((tert-Butoxy)carbonyl)piperidine-2-carboxylic acid26250-84-065 % 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-Boc-2-morpholinecarboxylic acid189321-66-2 N-Boc-cis-4-hydroxy-L-proline87691-27-8 (R)-4-(tert-Butoxycarbonyl)morpholine-2-carboxylic acid884512-77-0

Elsewhere

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