(3R)-(+)-3-(tert-Butoxycarbonylamino)pyrrolidine

C₉H₁₈N₂O₂CAS 122536-77-0186.25 g/mol

Open in Covalent MOL file

Carbamate Secondary amine

Properties

Molecular formula: C₉H₁₈N₂O₂
Molar mass: 186.25 g/mol
Exact mass: 186.1368 Da
logP: 1.08Crippen estimate
Polar surface area: 53.9 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 1
Stereocentres: Rin SMILES atom order

Hazards

Danger

H314 Causes severe skin burns and eye damage38.5% of notifiers
H315 Causes skin irritation61.5% of notifiers
H319 Causes serious eye irritation61.5% of notifiers
H335 May cause respiratory irritation53.8% of notifiers

Aggregated from 13 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, P501

Identifiers

CAS number

122536-77-0

SMILES

CC(C)(C)OC(O)=N[C@@H]1CCNC1

InChIKey

DQQJBEAXSOOCPG-SSDOTTSWSA-N

InChI

InChI=1S/C9H18N2O2/c1-9(2,3)13-8(12)11-7-4-5-10-6-7/h7,10H,4-6H2,1-3H3,(H,11,12)/t7-/m1/s1

Weigh it out

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

Names and synonyms

25 names · show all

(R)-tert-Butyl pyrrolidin-3-ylcarbamate
Carbamic acid, N-(3R)-3-pyrrolidinyl-, 1,1-dimethylethyl ester
3R-(t-Boc-Amino)pyrrolidine
(3R)-(+)-3-Bocaminopyrrolidine
(3R)-(+)-3-[(tert-Butoxycarbonyl)amino]pyrrolidine
tert-Butyl ((3R)-pyrrolidin-3-yl)carbamate
(3R)-3-(tert-Butoxycarbonylamino)pyrrolidine
(R)-3-(BOC-amino)pyrrolidine
(R)-Pyrrolidin-3-ylcarbamic acid tert-butyl ester
(R)-(+)-3-(tert-Butyloxycarbonylamino)pyrrolidine
(R)-3-(tert-Butoxycarbonylamino)pyrrolidine
tert-Butyl(R)-N-pyrrolidin-3-ylcarbamate
(Pyrrolidin-3-yl)carbamic acid (R)-tert-butyl ester
(R)-(Pyrrolidin-3-yl)carbamic acid tert-butyl ester
(R)-(+)-3-[N-(tert-Butyloxycarbonyl)amino]pyrrolidine
tert-Butyl (R)-N-(pyrrolidin-3-yl)carbamate
(R)-N-(Pyrrolidin-3-yl)carbamic acid tert-butyl ester
3-(R)-(tert-Butoxycarbonylamino)pyrrolidine
tert-Butyl ((R)-pyrrolidin-3-yl)carbamate
(R)-(+)-3-(Boc-amino)pyrrolidine
(R)-3-(+)-(Boc-amino)pyrrolidine
Carbamic acid, 3-pyrrolidinyl-, 1,1-dimethylethyl ester, (R)-
Carbamic acid, (3R)-3-pyrrolidinyl-, 1,1-dimethylethyl ester
(3R)-3-(N-tert-Butoxycarbonylamino)pyrrolidine
(R)-3-tert-Butoxycarbonylaminopyrrolidine

Work with (3R)-(+)-3-(tert-Butoxycarbonylamino)pyrrolidine

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.

(S)-3-(Boc-amino)pyrrolidine122536-76-9Enantiomer

Similar compounds

4-(tert-Butoxycarbonylamino)piperidine73874-95-082 % similar 1,1-Dimethylethyl N-(hexahydro-1H-azepin-4-yl)carbamate454451-28-673 % similar 2-(tert-Butoxycarbonylamino)-7-azaspiro[3.5]nonane147611-03-860 % similar 1,1-Dimethylethyl N-(3-endo)-8-azabicyclo[3.2.1]oct-3-ylcarbamate132234-69-659 % similar 1,1-Dimethylethyl N-(4-aminocyclohexyl)carbamate195314-59-156 % similar 1,1-Dimethylethyl N-[(1S,3R)-3-hydroxycyclopentyl]carbamate167465-99-855 % similar 1,1-Dimethylethyl N-[(1R)-3-hydroxy-1-(hydroxymethyl)propyl]carbamate397246-14-955 % similar 1,1-Dimethylethyl N-[trans-4-(2-hydroxyethyl)cyclohexyl]carbamate917342-29-155 % similar

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

Same formula

(S)-(-)-1-tert-Butoxycarbonyl-3-aminopyrrolidine147081-44-5 (R)-tert-Butyl 3-aminopyrrolidine-1-carboxylate147081-49-0 tert-Butyl 3-aminopyrrolidine-1-carboxylate186550-13-0 1-Boc-3-(aminomethyl)azetidine325775-44-8 1-Boc-3-methylaminoazetidine454703-20-9 Dimorpholinomethane5625-90-1 N-Boc-piperazine57260-71-6

Elsewhere

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