chempirical

1-(1,1-Dimethylethyl) 2-borono-1-pyrrolidinecarboxylate

C9H18BNO4CAS 149682-75-7215.06 g/mol

Open in Covalent MOL file
OONBHOOH
Boronic acidCarbamate

Properties

Molecular formula
C9H18BNO4
Molar mass
215.06 g/mol
Exact mass
215.1329 Da
logP
0.40Crippen estimate
Polar surface area
70.0 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
1

Identifiers

CAS number
149682-75-7
SMILES
CC(C)(C)OC(=O)N1CCCC1B(O)O
InChIKey
UIIUYLRUCQCTST-UHFFFAOYSA-N
InChI
InChI=1S/C9H18BNO4/c1-9(2,3)15-8(12)11-6-4-5-7(11)10(13)14/h7,13-14H,4-6H2,1-3H3

Weigh it out

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

Names and synonyms

5 names
  • 1-Pyrrolidinecarboxylic acid, 2-borono-, 1-(1,1-dimethylethyl) ester
  • [1-(tert-Butoxycarbonyl)pyrrolidin-2-yl]boronic acid
  • NT 0187
  • [1-[(2-Methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]boronic acid
  • 1-N-Boc-Pyrrolidin-2-ylboronic acid

Work with 1-(1,1-Dimethylethyl) 2-borono-1-pyrrolidinecarboxylate

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

Similar compounds

tert-Butyl 2-(hydroxymethyl)pyrrolidine-1-carboxylate170491-63-160 % similar 1,1-Dimethylethyl (2S)-2-(aminocarbonyl)-1-pyrrolidinecarboxylate35150-07-359 % similar 1,1-Dimethylethyl (2S)-2-formyl-1-pyrrolidinecarboxylate69610-41-957 % similar 1-[(tert-Butoxy)carbonyl]piperidine-2-carboxylic acid118552-55-957 % similar (S)-1-N-Boc-2-(aminomethyl)pyrrolidine119020-01-856 % similar tert-Butyl (2S)-2-carbamothioylpyrrolidine-1-carboxylate101410-18-856 % similar 2-((2R)-1-((tert-Butoxy)carbonyl)pyrrolidin-2-yl)acetic acid101555-60-656 % similar (2S)-1-[(1,1-Dimethylethoxy)carbonyl]-2-pyrrolidineacetic acid56502-01-356 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook