1-(1,1-Dimethylethyl) (2S,4R)-4-hydroxy-1,2-pyrrolidinedicarboxylate

C10H17NO5CAS 13726-69-7231.25 g/mol

Open in Covalent MOL file
OONOHOHO
AlcoholCarbamateCarboxylic acid

Properties

Molecular formula
C10H17NO5
Molar mass
231.25 g/mol
Exact mass
231.1107 Da
Melting point
126–128 °C
logP
0.44Crippen estimate
Polar surface area
87.1 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
1
Stereocentres
R, Sin SMILES atom order

Hazards

Danger
Corrosive (GHS05)Irritant (GHS07)

Aggregated from 10 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
13726-69-7
SMILES
CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)O
InChIKey
BENKAPCDIOILGV-RQJHMYQMSA-N
InChI
InChI=1S/C10H17NO5/c1-10(2,3)16-9(15)11-5-6(12)4-7(11)8(13)14/h6-7,12H,4-5H2,1-3H3,(H,13,14)/t6-,7+/m1/s1

Weigh it out

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

Names and synonyms

21 names · show all
  • 1,2-Pyrrolidinedicarboxylic acid, 4-hydroxy-, 1-(1,1-dimethylethyl) ester, (2S,4R)-
  • (2S,4R)-N-tert-Butoxycarbonyl-4-hydroxyproline
  • N-tert-Butoxycarbonyl trans-4-hydroxy-L-proline
  • 1,2-Pyrrolidinedicarboxylic acid, 4-hydroxy-, 1-tert-butyl ester, L-
  • 1,2-Pyrrolidinedicarboxylic acid, 4-hydroxy-, 1-(1,1-dimethylethyl) ester, (2S-trans)-
  • N-(tert-Butoxycarbonyl)hydroxy-L-proline
  • N-(tert-Butyloxycarbonyl)-4-hydroxyproline
  • N-(tert-Butoxycarbonyl)hydroxyproline
  • N-(tert-Butoxycarbonyl)-4-hydroxy-L-proline
  • (2S,4R)-1-(tert-Butoxycarbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
  • N-tert-Butoxycarbonyl-(4R)-4-hydroxy-L-proline
  • trans-1-(tert-Butoxycarbonyl)-4-hydroxy-L-proline
  • (2S,4R)-4-Hydroxypyrrolidine-1,2-dicarboxylic acid 1-tert-butyl ester
  • (2S,4R)-4-Hydroxy-1-(tert-butoxycarbonyl)pyrrolidine-2-carboxylic acid
  • NSC 343720
  • (4R)-1-(tert-Butoxycarbonyl)-4-hydroxy-L-proline
  • 1-(tert-Butoxycarbonyl)-(2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid
  • (2S,4R)-4-Hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
  • Boc-L-trans-γ-hydroxyproline
  • N-Boc-trans-4-hydroxy-L-proline
  • Boc-trans-Hydroxy-L-proline

Work with 1-(1,1-Dimethylethyl) (2S,4R)-4-hydroxy-1,2-pyrrolidinedicarboxylate

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.

(2R,4S)-N-Alpha-T-butoxycarbonyl-4-hydroxypyrrolidine-2-carboxylic acid147266-92-0Enantiomer N-Boc-cis-4-hydroxy-D-proline135042-12-5Diastereomer N-Boc-cis-4-hydroxy-L-proline87691-27-8Diastereomer

Similar compounds

(2S,4S)-N-Boc-4-methylpyrrolidine-2-carboxylic acid364750-81-273 % similar (2S,4S)-1-((tert-Butoxy)carbonyl)-4-fluoropyrrolidine-2-carboxylic acid203866-13-170 % similar (2S,4R)-1-[(tert-Butoxy)carbonyl]-4-fluoropyrrolidine-2-carboxylic acid203866-14-270 % similar (2R,4S)-1-(tert-Butoxycarbonyl)-4-fluoropyrrolidine-2-carboxylic acid681128-50-770 % similar (2R,4R)-1-[(tert-Butoxy)carbonyl]-4-fluoropyrrolidine-2-carboxylic acid681128-51-870 % similar N-Boc-cis-4-hydroxy-L-proline methyl ester102195-79-968 % similar (2R,4R)-4-Hydroxy-pyrrolidine-1,2-dicarboxylic acid 1-tert-butyl ester 2-methyl ester114676-69-668 % similar 1-tert-Butyl 2-methyl (2R,4S)-4-hydroxypyrrolidine-1,2-dicarboxylate135042-17-068 % 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 4-Boc-2-morpholinecarboxylic acid189321-66-2 4-(tert-Butoxycarbonyl)morpholine-3-carboxylic acid212650-43-6 4-Boc-3(R)-morpholinecarboxylic acid869681-70-9 (R)-4-(tert-Butoxycarbonyl)morpholine-2-carboxylic acid884512-77-0

Elsewhere

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