(R)-4-(tert-Butoxycarbonyl)morpholine-2-carboxylic acid

C₁₀H₁₇NO₅CAS 884512-77-0231.25 g/mol

Open in Covalent MOL file

Carbamate Carboxylic acid Ether

Properties

Molecular formula: C₁₀H₁₇NO₅
Molar mass: 231.25 g/mol
Exact mass: 231.1107 Da
logP: 0.71Crippen estimate
Polar surface area: 76.1 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 1
Stereocentres: Rin SMILES atom order

Hazards

Warning

H315 Causes skin irritation50% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation50% of notifiers
H411 Toxic to aquatic life with long lasting effects50% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, P501

Identifiers

CAS number

884512-77-0

SMILES

CC(C)(C)OC(=O)N1CCO[C@H](C1)C(=O)O

InChIKey

LGWMTRPJZFEWCX-SSDOTTSWSA-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)/t7-/m1/s1

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Names and synonyms

1 names

(2R)-4-((tert-Butoxy)carbonyl)morpholine-2-carboxylic acid

Work with (R)-4-(tert-Butoxycarbonyl)morpholine-2-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-2-morpholinecarboxylic acid189321-66-2Stereo not defined

Similar compounds

(3S)-1-[(tert-Butoxy)carbonyl]pyrrolidine-3-carboxylic acid140148-70-567 % similar 1-((tert-Butoxy)carbonyl)pyrrolidine-3-carboxylic acid59378-75-567 % similar 1-(1,1-Dimethylethyl) (3R)-1,3-pyrrolidinedicarboxylate72925-16-767 % similar 1-(1,1-Dimethylethyl) (3R)-1,3-piperidinedicarboxylate163438-09-365 % similar 1-((tert-Butoxy)carbonyl)piperidine-3-carboxylic acid71381-75-465 % similar 1-Boc-3-piperidinecarboxylic acid84358-12-365 % similar L-1-Boc-nipecotic acid88495-54-965 % similar tert-Butyl 2-(hydroxymethyl)morpholine-4-carboxylate135065-69-961 % 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 4-Boc-3(R)-morpholinecarboxylic acid869681-70-9 N-Boc-cis-4-hydroxy-L-proline87691-27-8

Elsewhere

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