(S)-tert-Butyl 5-azaspiro[2.4]heptan-7-ylcarbamate

C₁₁H₂₀N₂O₂CAS 127199-45-5212.29 g/mol

Open in Covalent MOL file

Carbamate Secondary amine

Properties

Molecular formula: C₁₁H₂₀N₂O₂
Molar mass: 212.29 g/mol
Exact mass: 212.1525 Da
logP: 1.47Crippen estimate
Polar surface area: 53.9 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 1
Stereocentres: Sin SMILES atom order

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from the 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, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

127199-45-5

SMILES

CC(C)(C)OC(O)=N[C@@H]1CNCC12CC2

InChIKey

CGEBPOMWRHSMLI-MRVPVSSYSA-N

InChI

InChI=1S/C11H20N2O2/c1-10(2,3)15-9(14)13-8-6-12-7-11(8)4-5-11/h8,12H,4-7H2,1-3H3,(H,13,14)/t8-/m1/s1

Weigh it out

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

Names and synonyms

7 names

Carbamic acid, N-(7S)-5-azaspiro[2.4]hept-7-yl-, 1,1-dimethylethyl ester
Carbamic acid, 5-azaspiro[2.4]hept-7-yl-, 1,1-dimethylethyl ester, (S)-
Carbamic acid, (7S)-5-azaspiro[2.4]hept-7-yl-, 1,1-dimethylethyl ester
5-Azaspiro[2.4]heptane, carbamic acid deriv.
(S)-7-tert-Butoxycarbonylamino-5-azaspiro[2.4]heptane
(7S)-7-[(tert-Butoxycarbonyl)amino]-5-azaspiro[2.4]heptane
7-(S)-tert-Butoxycarbonylamino-5-azaspiro[2.4]heptane

Work with (S)-tert-Butyl 5-azaspiro[2.4]heptan-7-ylcarbamate

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

tert-Butyl (7R)-5-azaspiro(2.4)heptan-7-ylcarbamate127199-44-4Enantiomer

Similar compounds

(3R)-(+)-3-(tert-Butoxycarbonylamino)pyrrolidine122536-77-052 % similar 4-(tert-Butoxycarbonylamino)piperidine73874-95-051 % similar 2-(tert-Butoxycarbonylamino)-7-azaspiro[3.5]nonane147611-03-850 % similar 1,1-Dimethylethyl N-(3-endo)-8-azabicyclo[3.2.1]oct-3-ylcarbamate132234-69-649 % similar (S)-tert-Butyl (5-benzyl-5-azaspiro[2.4]heptan-7-yl)carbamate144282-37-148 % similar 1,1-Dimethylethyl N-[(3S,5S)-5-(hydroxymethyl)-3-pyrrolidinyl]carbamate663948-85-448 % similar 1,1-Dimethylethyl N-(hexahydro-1H-azepin-4-yl)carbamate454451-28-647 % similar tert-Butyl N-((2R)-1-hydroxypropan-2-yl)carbamate106391-86-045 % similar

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

Same formula

tert-Butyl 6-amino-2-azaspiro[3.3]heptane-2-carboxylate1211586-09-2 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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