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

C10H17NO5CAS 212650-43-6231.25 g/mol

Open in Covalent MOL file
OONOOHO
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

Hazards

Warning
Irritant (GHS07)

Aggregated from 4 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, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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)

Weigh it out

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

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

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-Boc-3(R)-morpholinecarboxylic acid869681-70-9Defined stereoisomer

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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