(1S,3aR,6aS)-Octahydrocyclopenta[c]pyrrole-1-carboxylic acid tert-butyl ester oxalate

C14H23NO6CAS 907606-68-2301.34 g/mol

Open in Covalent MOL file
OOHNOHOOOH
Carboxylic acidEsterSecondary amine

Properties

Molecular formula
C14H23NO6
Molar mass
301.34 g/mol
Exact mass
301.1525 Da
logP
0.87Crippen estimate
Polar surface area
112.9 Ų
H-bond donors / acceptors
3 / 5
Rotatable bonds
1
Stereocentres
S, R, Sin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
907606-68-2
SMILES
CC(C)(C)OC(=O)[C@H]1NC[C@@H]2CCC[C@@H]21.O=C(O)C(=O)O
InChIKey
ZCTXDLWZMFBZEV-PUBMXKGKSA-N
InChI
InChI=1S/C12H21NO2.C2H2O4/c1-12(2,3)15-11(14)10-9-6-4-5-8(9)7-13-10;3-1(4)2(5)6/h8-10,13H,4-7H2,1-3H3;(H,3,4)(H,5,6)/t8-,9-,10-;/m0./s1

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Names and synonyms

1 names
  • Cyclopenta[C]pyrrole-1-carboxylic acid, octahydro-, 1,1-dimethylethyl ester, (1S,3ar,6as)-, ethanedioate (1:1)

Work with (1S,3aR,6aS)-Octahydrocyclopenta[c]pyrrole-1-carboxylic acid tert-butyl ester oxalate

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.

Ethanedioic acid hydrate (1:2)6153-56-6Hydrate Oxalic acid144-62-7Free acid Ferric ammonium oxalate14221-47-7Salt Copper oxalate814-91-5Salt Iron(II) oxalate516-03-0Salt Silver oxalate533-51-7Salt Potassium hydrogenoxalate127-95-7Salt Tin(II) oxalate814-94-8Salt Sodium oxalate62-76-0Salt Lead(II) oxalate814-93-7Salt Barium oxalate516-02-9Salt Caesium oxalate1068-63-9Salt

Similar compounds

Ethyl (1S,3aR,6aS)-octahydrocyclopenta[c]pyrrole-1-carboxylate hydrochloride1147103-42-151 % similar L-Proline 1,1-dimethylethyl ester2812-46-643 % similar Boc-L-cyclopentylglycine109183-72-440 % similar D-Proline tert-butyl ester hydrochloride184719-80-040 % similar (S)-Proline tert-butyl ester hydrochloride5497-76-740 % similar Boc-alpha-cyclohexyl-D-glycine70491-05-340 % similar trans-4-tert-Butoxycarbonyl-cyclohexane carboxylic acid1021273-74-440 % similar tert-Butyl Piperidine-4-carboxylate138007-24-638 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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