chempirical

(2S)-1-[(1,1-Dimethylethoxy)carbonyl]-2-pyrrolidineacetic acid

C11H19NO4CAS 56502-01-3229.28 g/mol

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OONOHO
CarbamateCarboxylic acid

Properties

Molecular formula
C11H19NO4
Molar mass
229.28 g/mol
Exact mass
229.1314 Da
Melting point
98 °C
logP
1.86Crippen estimate
Polar surface area
66.8 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
2
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
56502-01-3
SMILES
CC(C)(C)OC(=O)N1CCC[C@H]1CC(=O)O
InChIKey
GDWKIRLZWQQMIE-QMMMGPOBSA-N
InChI
InChI=1S/C11H19NO4/c1-11(2,3)16-10(15)12-6-4-5-8(12)7-9(13)14/h8H,4-7H2,1-3H3,(H,13,14)/t8-/m0/s1

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Names and synonyms

13 names · show all
  • 2-Pyrrolidineacetic acid, 1-[(1,1-dimethylethoxy)carbonyl]-, (2S)-
  • (S)-[1-(tert-Butoxycarbonyl)pyrrolidin-2-yl]acetic acid
  • (S)-2-[1-(tert-Butoxycarbonyl)pyrrolidin-2-yl]ethanoic acid
  • (S)-2-[1-(tert-Butoxycarbonyl)pyrrolidin-2-yl]acetic acid
  • L-Boc-β-homoproline
  • [(2S)-1-(tert-Butoxycarbonyl)pyrrolidin-2-yl]acetic acid
  • 2-[(2S)-1-(tert-Butoxycarbonyl)pyrrolidin-2-yl]acetic acid
  • 2-[(2S)-1-[(tert-Butoxy)carbonyl]pyrrolidin-2-yl]acetic acid
  • 2-[(2S)-1-[(2-Methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]acetic acid
  • 2-Pyrrolidineacetic acid, 1-[(1,1-dimethylethoxy)carbonyl]-, (S)-
  • (S)-1-(tert-Butoxycarbonyl)-2-pyrrolidineacetic acid
  • (S)-2-Carboxymethylpyrrolidine-1-carboxylic acid tert-butyl ester
  • (S)-2-(Carboxymethyl)pyrrolidine-1-carboxylic acid tert-butyl ester

Work with (2S)-1-[(1,1-Dimethylethoxy)carbonyl]-2-pyrrolidineacetic 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

Similar compounds

1-[(1,1-Dimethylethoxy)carbonyl]-2-piperidinepropanoic acid669713-96-672 % similar (S)-1-N-Boc-2-(aminomethyl)pyrrolidine119020-01-864 % similar (3S)-1-[(1,1-Dimethylethoxy)carbonyl]-3-pyrrolidineacetic acid204688-61-957 % similar 1,1-Dimethylethyl (2S)-2-(aminocarbonyl)-1-pyrrolidinecarboxylate35150-07-357 % similar 1-(1,1-Dimethylethyl) 2-borono-1-pyrrolidinecarboxylate149682-75-756 % similar [1-(tert-Butoxycarbonyl)azetidin-3-yl]acetic acid183062-96-655 % similar 1,1-Dimethylethyl (2S)-2-formyl-1-pyrrolidinecarboxylate69610-41-955 % similar 1,1-Dimethylethyl 2-cyano-1-pyrrolidinecarboxylate144688-70-052 % similar

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

Same formula

2-((2R)-1-((tert-Butoxy)carbonyl)pyrrolidin-2-yl)acetic acid101555-60-6 (S)-(-)-3-tert-Butoxycarbonyl-4-formyl-2,2-dimethyl-1,3-oxazolidine102308-32-7 (2S)-1-(tert-Butoxycarbonyl)-2-methylpyrrolidine-2-carboxylic acid103336-06-7 L-Glutamic acid 5-cyclohexyl ester112471-82-6 1-[(tert-Butoxy)carbonyl]piperidine-2-carboxylic acid118552-55-9 1-tert-Butyl 3-methyl pyrrolidine-1,3-dicarboxylate122684-33-7 (αS)-α-[[(1,1-Dimethylethoxy)carbonyl]amino]cyclobutaneacetic acid155905-77-4 1-(1,1-Dimethylethyl) (3R)-1,3-piperidinedicarboxylate163438-09-3

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