chempirical

(S)-3-Hydroxypyrrolidine-1-carboxylic acid tert-butyl ester

C9H17NO3CAS 101469-92-5187.24 g/mol

Open in Covalent MOL file
OONOH
AlcoholCarbamate

Properties

Molecular formula
C9H17NO3
Molar mass
187.24 g/mol
Exact mass
187.1208 Da
Melting point
60–61 °C
logP
0.99Crippen estimate
Polar surface area
49.8 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
0
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
101469-92-5
SMILES
CC(C)(C)OC(=O)N1CC[C@H](O)C1
InChIKey
APCBTRDHCDOPNY-ZETCQYMHSA-N
InChI
InChI=1S/C9H17NO3/c1-9(2,3)13-8(12)10-5-4-7(11)6-10/h7,11H,4-6H2,1-3H3/t7-/m0/s1

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

Names and synonyms

30 names · show all
  • 1-Pyrrolidinecarboxylic acid, 3-hydroxy-, 1,1-dimethylethyl ester, (3S)-
  • 1-Pyrrolidinecarboxylic acid, 3-hydroxy-, 1,1-dimethylethyl ester, (S)-
  • (S)-(+)-N-(tert-Butoxycarbonyl)-3-hydroxypyrrolidine
  • tert-Butyl (3S)-3-hydroxypyrrolidine-1-carboxylate
  • (3S)-N-tert-Butoxycarbonylpyrrolidin-3-ol
  • (3S)-Hydroxypyrrolidine-1-carboxylic acid tert-butyl ester
  • (3S)-3-Hydroxypyrrolidine-1-carboxylic acid tert-butyl ester
  • tert-Butyl (S)-3-hydroxypyrrolidine-1-carboxylate
  • (S)-1-tert-Butoxycarbonyl-3-hydroxypyrrolidine
  • (3S)-1-Boc-3-hydroxypyrrolidine
  • (3S)-1-tert-Butoxycarbonyl-3-pyrrolidinol
  • 1,1-Dimethylethyl (3S)-3-hydroxy-1-pyrrolidinecarboxylate
  • (S)-N-(t-Butyloxycarbonyl)-3-hydroxypyrrolidine
  • (S)-(+)-N-(tert-Butoxycarbonyl)-3-pyrrolidinol
  • N-Boc-(S)-3-hydroxypyrrolidine
  • (S)-tert-Butyl 3-hydroxypyrrolidine-1-carboxylate
  • N-tert-Butoxycarbonyl-(S)-3-pyrrolidinol
  • N-[(tert-Butoxy)carbonyl]-(S)-3-hydroxypyrrolidine
  • (S)-(+)-N-Boc-3-hydroxypyrrolidine
  • (S)-N-Boc-3-hydroxypyrrolidine
  • (+)-N-Boc-3-hydroxypyrrolidine
  • (S)-N-(tert-Butoxycarbonyl)-3-hydroxypyrrolidine
  • 1,1-Dimethylethyl (3S)-3-hydroxypyrrolidine-1-carboxylate
  • (S)-1-N-Boc-3-pyrrolidinol
  • (S)-1-(tert-Butoxycarbonyl)-3-pyrrolidinol
  • (S)-3-Hydroxy-1-(tert-butoxycarbonyl)pyrrolidine
  • (S)-N-Boc-3-pyrrolidinol
  • (S)-3-Hydroxy-1-Boc-pyrrolidine
  • (S)-(+)-1-Boc-3-hydroxypyrrolidine
  • tert-Butyl (1S)-3-hydroxypyrrolidine-1-carboxylate

Work with (S)-3-Hydroxypyrrolidine-1-carboxylic acid tert-butyl ester

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

4-Hydroxypiperidine-1-carboxylic acid tert-butyl ester109384-19-282 % similar tert-Butyl (3S,4R)-3-fluoro-4-hydroxypiperidine-1-carboxylate1174020-40-669 % similar 1,1-Dimethylethyl (3R,4S)-3-fluoro-4-hydroxy-1-piperidinecarboxylate1174020-42-869 % similar tert-Butyl 3-(hydroxymethyl)pyrrolidine-1-carboxylate114214-69-664 % similar (R)-tert-Butyl 3-aminopyrrolidine-1-carboxylate147081-49-063 % similar 1-(1,1-Dimethylethyl) (3R)-1,3-pyrrolidinedicarboxylate72925-16-763 % similar 1,1-Dimethylethyl (3S)-3-(methylamino)-1-pyrrolidinecarboxylate147081-59-260 % similar (3S)-1-[(1,1-Dimethylethoxy)carbonyl]-3-pyrrolidineacetic acid204688-61-960 % similar

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

Same formula

3-Hydroxypyrrolidine-1-carboxylic acid tert-butyl ester103057-44-9 tert-Butyl N-(1-(hydroxymethyl)cyclopropyl)carbamate107017-73-2 tert-Butyl (3R)-3-hydroxypyrrolidine-1-carboxylate109431-87-0 3-Hydroxy-3-methyl-azetidine-1-carboxylic acid tert-butyl ester1104083-23-9 3-(Carbamoylmethyl)-5-methylhexanoic acid181289-15-6 (R)-3-(Carbamoylmethyl)-5-methylhexanoic acid181289-33-8 (4R)-4-(1,1-Dimethylethoxy)-L-proline79775-07-8

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