chempirical

1-(9H-Fluoren-9-ylmethyl) 4-[[(1,1-dimethylethoxy)carbonyl]amino]-1,4-piperidinedicarboxylate

C26H30N2O6CAS 368866-07-3466.53 g/mol

Open in Covalent MOL file
OONHOHONOO
CarbamateCarboxylic acid

Properties

Molecular formula
C26H30N2O6
Molar mass
466.53 g/mol
Exact mass
466.2104 Da
logP
4.58Crippen estimate
Polar surface area
108.7 Ų
H-bond donors / acceptors
2 / 5
Rotatable bonds
4

Identifiers

CAS number
368866-07-3
SMILES
CC(C)(C)OC(O)=NC1(C(=O)O)CCN(C(=O)OCC2c3ccccc3-c3ccccc32)CC1
InChIKey
SHJZHFAOEGNFGY-UHFFFAOYSA-N
InChI
InChI=1S/C26H30N2O6/c1-25(2,3)34-23(31)27-26(22(29)30)12-14-28(15-13-26)24(32)33-16-21-19-10-6-4-8-17(19)18-9-5-7-11-20(18)21/h4-11,21H,12-16H2,1-3H3,(H,27,31)(H,29,30)

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Names and synonyms

3 names
  • 1,4-Piperidinedicarboxylic acid, 4-[[(1,1-dimethylethoxy)carbonyl]amino]-, 1-(9H-fluoren-9-ylmethyl) ester
  • 4-[(tert-Butoxycarbonyl)amino]-1-[[(9H-fluoren-9-yl)methoxy]carbonyl]piperidine-4-carboxylic acid
  • 1-(9H-Fluoren-9-ylmethoxycarbonyl)-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-4-carboxylic acid

Work with 1-(9H-Fluoren-9-ylmethyl) 4-[[(1,1-dimethylethoxy)carbonyl]amino]-1,4-piperidinedicarboxylate

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-[(Fmoc)amino]cyclohexanecarboxylic acid162648-54-661 % similar 2-[[[(9H-Fluoren-9-yl)methoxy]carbonyl]amino]-2-methylpropionic acid94744-50-055 % similar O-(1,1-Dimethylethyl)-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-2-methyl-L-serine914399-98-755 % similar N-[(1,1-Dimethylethoxy)carbonyl]-3-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-D-alanine131570-56-450 % similar N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-2-methyl-L-leucine312624-65-050 % similar 1-[(tert-Butoxycarbonyl)amino]cyclopropanecarboxylic acid88950-64-550 % similar 1-[(9H-Fluoren-9-ylmethoxy)carbonyl]-4-piperidineacetic acid180181-05-948 % similar 1-tert-Butoxycarbonylaminocyclopentanecarboxylic acid35264-09-648 % similar

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

Same formula

4-(1,1-Dimethylethyl) 1-(9H-fluoren-9-ylmethyl) 2-(carboxymethyl)-1,4-piperazinedicarboxylate183742-34-9

Elsewhere

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