chempirical

3-Carboxy-2,2,5,5-tetramethyl-1-pyrrolidinyloxy

C9H16NO3CAS 2154-68-9186.23 g/mol

Open in Covalent MOL file
OOHNO
Carboxylic acidTertiary amine

Properties

Molecular formula
C9H16NO3
Molar mass
186.23 g/mol
Exact mass
186.1130 Da
Melting point
193 °C
logP
1.30Crippen estimate
Polar surface area
60.4 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

Identifiers

CAS number
2154-68-9
SMILES
CC1(C)CC(C(=O)O)C(C)(C)N1[O]
InChIKey
GEPIUTWNBHBHIO-UHFFFAOYSA-N
InChI
InChI=1S/C9H16NO3/c1-8(2)5-6(7(11)12)9(3,4)10(8)13/h6H,5H2,1-4H3,(H,11,12)

Weigh it out

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Names and synonyms

17 names · show all
  • 1-Pyrrolidinyloxy, 3-carboxy-2,2,5,5-tetramethyl-
  • 2,2,5,5-Tetramethyl-3-carboxypyrrolidinooxy
  • 3-Carboxy-2,2,5,5-tetramethylpyrrolidinyloxyl
  • 2,2,5,5-Tetramethyl-3-carboxypyrrolidine-N-oxyl
  • 3-Carboxy-2,2,5,5-tetramethylpyrrolidine-1-oxyl
  • PCA
  • 2,2,5,5-Tetramethylpyrrolidine-1-oxyl-3-carboxylic acid
  • PCA (radical)
  • T 517
  • 2,2,5,5-Tetramethylpiperidine-1-oxyl-3-carboxylic acid
  • DL-3-Carboxy-2,2,5,5-tetramethyl-1-pyrrolidinyloxyl
  • 3-Carboxy-2,2,5,5-tetramethylpyrrolidinyloxy
  • NSC 158842
  • 3-Carboxy-2,2,5,5-tetramethylpyrrolidin-1-oxy
  • 3-Carboxy-1-oxyl-2,2,5,5-tetramethylpyrrolidine
  • 3-Carboxyproxyl
  • C 1406

Work with 3-Carboxy-2,2,5,5-tetramethyl-1-pyrrolidinyloxy

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-Amino-2,2,6,6-tetramethylpiperidine-1-oxyl14691-88-443 % similar 4-Hydroxy-tempo2226-96-243 % similar 4-Acetamido-tempo14691-89-541 % similar 2,2-Difluorocyclopropane-1-carboxylic acid107873-03-039 % similar D-Camphoric acid124-83-437 % similar Camphoric acid560-09-837 % similar Tempone2896-70-036 % similar 2,2,3,3-Tetramethylcyclopropanecarboxylic acid15641-58-434 % similar

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

Elsewhere

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