chempirical

(S)-Tetrahydropyridazine-1,2,3-tricarboxylic acid 1,2-di-tert-butyl ester

C15H26N2O6CAS 156699-39-7330.38 g/mol

Open in Covalent MOL file
OONNOOOOH
CarbamateCarboxylic acid

Properties

Molecular formula
C15H26N2O6
Molar mass
330.38 g/mol
Exact mass
330.1791 Da
logP
2.62Crippen estimate
Polar surface area
96.4 Ų
H-bond donors / acceptors
1 / 5
Rotatable bonds
1
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
156699-39-7
SMILES
CC(C)(C)OC(=O)N1CCC[C@H](N1C(=O)OC(C)(C)C)C(=O)O
InChIKey
MLXHSDCSBUGOLZ-JTQLQIEISA-N
InChI
InChI=1S/C15H26N2O6/c1-14(2,3)22-12(20)16-9-7-8-10(11(18)19)17(16)13(21)23-15(4,5)6/h10H,7-9H2,1-6H3,(H,18,19)/t10-/m0/s1

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Work with (S)-Tetrahydropyridazine-1,2,3-tricarboxylic acid 1,2-di-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

Boc-L-proline15761-39-469 % similar 1-(1,1-Dimethylethyl) (3R)-1,3-piperidinedicarboxylate163438-09-357 % similar 1-(tert-Butoxycarbonyl)-4-piperidinecarboxylic acid174316-71-353 % similar (R)-Boc-5-oxopyrrolidine-2-carboxylic acid160347-90-053 % similar 1-(1,1-Dimethylethyl) (2S)-5-oxo-1,2-pyrrolidinedicarboxylate53100-44-053 % similar N-Boc-cis-4-hydroxy-D-proline135042-12-552 % similar 1-(1,1-Dimethylethyl) (2S,4R)-4-hydroxy-1,2-pyrrolidinedicarboxylate13726-69-752 % similar (2R,4S)-N-Alpha-T-butoxycarbonyl-4-hydroxypyrrolidine-2-carboxylic acid147266-92-052 % similar

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

Elsewhere

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