(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

Hazards

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

Search the SDS library

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

Weigh it out

Type any one amount. The others follow from the molar mass.

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 (2R)-1-[(tert-Butoxy)carbonyl]pyrrolidine-2-carboxylic acid37784-17-169 % similar 1-[(tert-Butoxy)carbonyl]pyrrolidine-2-carboxylic acid59433-50-069 % similar 1-[(tert-Butoxy)carbonyl]piperidine-2-carboxylic acid118552-55-964 % similar (2S)-1-((tert-Butoxy)carbonyl)piperidine-2-carboxylic acid26250-84-064 % similar (R)-(+)-N-Boc-2-piperidinecarboxylic acid28697-17-864 % similar N-Boc-2-piperidinecarboxylic acid98303-20-964 % similar 1-[(tert-Butoxy)carbonyl]azetidine-2-carboxylic acid159749-28-760 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook