tert-Butyl 6-amino-2-azaspiro[3.3]heptane-2-carboxylate

C₁₁H₂₀N₂O₂CAS 1211586-09-2212.29 g/mol

Open in Covalent MOL file

Carbamate Primary amine

Properties

Molecular formula: C₁₁H₂₀N₂O₂
Molar mass: 212.29 g/mol
Exact mass: 212.1525 Da
logP: 1.34Crippen estimate
Polar surface area: 55.6 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed50% of notifiers
H312 Harmful in contact with skin25% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled25% of notifiers
H335 May cause respiratory irritation75% of notifiers

Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

1211586-09-2

SMILES

CC(C)(C)OC(=O)N1CC2(C1)CC(C2)N

InChIKey

WJDUCDSPGKNBBW-UHFFFAOYSA-N

InChI

InChI=1S/C11H20N2O2/c1-10(2,3)15-9(14)13-6-11(7-13)4-8(12)5-11/h8H,4-7,12H2,1-3H3

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Names and synonyms

1 names

6-Amino-2-aza-spiro[3.3]heptane-2-carboxylic acid tert-butyl ester

Work with tert-Butyl 6-amino-2-azaspiro[3.3]heptane-2-carboxylate

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 6-hydroxy-2-azaspiro[3.3]heptane-2-carboxylate1147557-97-868 % similar 1-Boc-3-(amino)azetidine193269-78-266 % similar tert-Butyl 4-aminopiperidine-1-carboxylate87120-72-762 % similar 1,1-Dimethylethyl 2,6-diazaspiro[3.3]heptane-2-carboxylate1041026-70-359 % similar tert-Butyl 6-oxo-2-azaspiro(3.3)heptane-2-carboxylate1181816-12-559 % similar (S)-(-)-1-tert-Butoxycarbonyl-3-aminopyrrolidine147081-44-559 % similar (R)-tert-Butyl 3-aminopyrrolidine-1-carboxylate147081-49-059 % similar tert-Butyl 3-aminopyrrolidine-1-carboxylate186550-13-059 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

tert-Butyl (7R)-5-azaspiro(2.4)heptan-7-ylcarbamate127199-44-4 (S)-tert-Butyl 5-azaspiro[2.4]heptan-7-ylcarbamate127199-45-5 tert-Butyl octahydropyrrolo(3,4-c)pyrrole-2-carboxylate141449-85-6 tert-Butyl 3,8-diazabicyclo[3.2.1]octane-8-carboxylate149771-44-8 Hexahydro-pyrrolo[3,4-B]pyrrole-1-carboxylic acid tert-butyl ester185693-02-1 1,1-Dimethylethyl 3,8-diazabicyclo[3.2.1]octane-3-carboxylate201162-53-0 cis-2-Boc-hexahydropyrrolo[3,4-C]pyrrole250275-15-1 Brivaracetam357336-20-0

Elsewhere

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