3-Amino-2,6-dihydro-pyrrolo(3,4-c)pyrazole-5(4H)-carboxylic acid 1,1-dimethylethyl ester

C₁₀H₁₆N₄O₂CAS 398491-59-3224.26 g/mol

Open in Covalent MOL file

Carbamate Primary amine

Properties

Molecular formula: C₁₀H₁₆N₄O₂
Molar mass: 224.26 g/mol
Exact mass: 224.1273 Da
logP: 1.24Crippen estimate
Polar surface area: 84.2 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 0

Identifiers

CAS number

398491-59-3

SMILES

CC(C)(C)OC(=O)N1CC2=C(C1)NN=C2N

InChIKey

BEVRTOCHMXNPLY-UHFFFAOYSA-N

InChI

InChI=1S/C10H16N4O2/c1-10(2,3)16-9(15)14-4-6-7(5-14)12-13-8(6)11/h4-5H2,1-3H3,(H3,11,12,13)

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Names and synonyms

1 names

5N-Boc-3-amino-4,6-dihydro-1H-pyrrolo[3,4-C]pyrozole

Work with 3-Amino-2,6-dihydro-pyrrolo(3,4-c)pyrazole-5(4H)-carboxylic acid 1,1-dimethylethyl 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

tert-Butyl 3-amino-6,6-dimethyl-1H,4H,5H,6H-pyrrolo(3,4-c)pyrazole-5-carboxylate398491-61-759 % similar tert-Butyl 4,6-dihydropyrrolo(3,4-c)pyrazole-5(1H)-carboxylate1280210-79-854 % similar tert-Butyl 6,7-dihydro-1H-pyrazolo[4,3-C]pyridine-5(4H)-carboxylate230301-11-845 % similar 1,1-Dimethylethyl 1-pyrrolidinecarboxylate86953-79-942 % similar 6-Amino-2-N-boc-1,2,3,4-tetrahydro-isoquinoline164148-92-942 % similar 1-Boc-3-(amino)azetidine193269-78-241 % similar tert-Butyl 3-oxoazetidine-1-carboxylate398489-26-441 % similar N-(tert-Butoxycarbonyl)-2,5-dihydro-1H-pyrrole73286-70-141 % similar

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

Elsewhere

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