chempirical

Boc-L-proline

C10H17NO4CAS 15761-39-4215.25 g/mol

Open in Covalent MOL file
OONOOH
CarbamateCarboxylic acid

Properties

Molecular formula
C10H17NO4
Molar mass
215.25 g/mol
Exact mass
215.1158 Da
Melting point
135–136 °C
logP
1.47Crippen estimate
Polar surface area
66.8 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1
Stereocentres
Sin SMILES atom order

Hazards

Warning
Irritant (GHS07)

Aggregated from 8 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, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
15761-39-4
SMILES
CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)O
InChIKey
ZQEBQGAAWMOMAI-ZETCQYMHSA-N
InChI
InChI=1S/C10H17NO4/c1-10(2,3)15-9(14)11-6-4-5-7(11)8(12)13/h7H,4-6H2,1-3H3,(H,12,13)/t7-/m0/s1

Weigh it out

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

Names and synonyms

29 names · show all
  • 1,2-Pyrrolidinedicarboxylic acid, 1-(1,1-dimethylethyl) ester, (2S)-
  • 1,2-Pyrrolidinedicarboxylic acid, 1-tert-butyl ester, L-
  • 1,2-Pyrrolidinedicarboxylic acid, 1-(1,1-dimethylethyl) ester, (S)-
  • 1-tert-Butyloxycarbonyl-L-proline
  • 1-tert-Butoxycarbonyl-L-proline
  • N-(tert-Butyloxycarbonyl)-L-proline
  • N-(tert-Butoxycarbonyl)-L-proline
  • N-(t-Butoxycarbonyl)proline
  • N-(tert-Butoxycarbonyl)-(S)-proline
  • N-[(1,1-Dimethylethoxy)carbonyl]-(S)-proline
  • N-Boc-(S)-proline
  • (S)-N-tert-Butoxycarbonylproline
  • 1-(tert-Butoxycarbonyl)-(S)-proline
  • N-(tert-Butoxycarbonyl)proline
  • (2S)-1-tert-Butoxycarbonylpyrrolidine-2-carboxylic acid
  • (S)-Pyrrolidine-1,2-dicarboxylic acid 1-tert-butyl ester
  • NSC 164660
  • (S)-1-(tert-Butoxycarbonyl)-2-pyrrolidinecarboxylic acid
  • N-Boc-L-proline
  • (2S)-1,2-Pyrrolidinedicarboxylic acid 1-(1,1-dimethylethyl) ester
  • (2S)-1-Boc-pyrrolidine-2-carboxylic acid
  • 1-tert-Butyl (S)-pyrrolidine-1,2-dicarboxylate
  • L-N-Boc-proline
  • (S)-1-Boc-β-proline
  • 1-(tert-Butoxycarbonyl)-(2S)-pyrrolidine-2-carboxylic acid
  • trans-N-(tert-Butoxycarbonyl)-4-hydroxy-L-proline
  • Boc-L-pro
  • Boc-L-pro-OH
  • (2S)-1-[(2-Methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid

Reactions

Work with Boc-L-proline

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)-1-[(tert-Butoxy)carbonyl]pyrrolidine-2-carboxylic acid37784-17-1Enantiomer 1-[(tert-Butoxy)carbonyl]pyrrolidine-2-carboxylic acid59433-50-0Stereo not defined

Same formula

(1r,3r)-3-(((tert-Butoxy)carbonyl)amino)cyclobutane-1-carboxylic acid1008773-79-2 N-Boc-1-aminocyclobutanecarboxylic acid120728-10-1 (3S)-1-[(tert-Butoxy)carbonyl]pyrrolidine-3-carboxylic acid140148-70-5 (S)-tert-Butoxycarbonylamino-cyclopropyl-acetic acid155976-13-9 Boc-D-allylglycine170899-08-8 [1-(tert-Butoxycarbonyl)azetidin-3-yl]acetic acid183062-96-6 Azetidine-1,2-dicarboxylic acid 1-tert-butyl ester 2-methyl ester255882-72-5

Elsewhere

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