chempirical

1-Pyrrolidinecarboxylicacid,3-(methylamino)-,1,1-dimethylethylester,(R)-(9ci)

C10H20N2O2CAS 199336-83-9200.28 g/mol

Open in Covalent MOL file
OONNH
CarbamateSecondary amine

Properties

Molecular formula
C10H20N2O2
Molar mass
200.28 g/mol
Exact mass
200.1525 Da
logP
1.22Crippen estimate
Polar surface area
41.6 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1
Stereocentres
Rin SMILES atom order

Identifiers

CAS number
199336-83-9
SMILES
CC(C)(C)OC(=O)N1CC[C@H](C1)NC
InChIKey
OKUCEQDKBKYEJY-MRVPVSSYSA-N
InChI
InChI=1S/C10H20N2O2/c1-10(2,3)14-9(13)12-6-5-8(7-12)11-4/h8,11H,5-7H2,1-4H3/t8-/m1/s1

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Names and synonyms

1 names
  • tert-Butyl (3R)-3-(methylamino)pyrrolidine-1-carboxylate

Work with 1-Pyrrolidinecarboxylicacid,3-(methylamino)-,1,1-dimethylethylester,(R)-(9ci)

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

1,1-Dimethylethyl (3S)-3-(methylamino)-1-pyrrolidinecarboxylate147081-59-2100 % similar 1,1-Dimethylethyl 3,8-diazabicyclo[3.2.1]octane-3-carboxylate201162-53-063 % similar tert-Butyl (3R)-3-hydroxypyrrolidine-1-carboxylate109431-87-060 % similar (R)-tert-Butyl 3-aminopyrrolidine-1-carboxylate147081-49-060 % similar 1-N-Boc-4-(phenylamino)piperidine125541-22-258 % similar 1,1-Dimethylethyl (3S)-3-(hydroxymethyl)-1-piperazinecarboxylate314741-40-757 % similar tert-Butyl 3-carbamoylpyrrolidine-1-carboxylate122684-34-856 % similar (R)-1-Boc-3-cyanopyrrolidine132945-76-756 % similar

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

Same formula

tert-Butyl N-[(1R,3R)-3-aminocyclopentyl]carbamate1009075-44-8 tert-Butyl3-((methylamino)methyl)azetidine-1-carboxylate1049730-81-5 3-(N-Boc-methylaminomethyl)azetidine1053655-53-0 tert-Butyl 1,4-diazepane-1-carboxylate112275-50-0 (S)-1-N-Boc-2-(aminomethyl)pyrrolidine119020-01-8 tert-Butyl 3-methylpiperazine-1-carboxylate120737-59-9 tert-Butyl 2-methylpiperazine-1-carboxylate120737-78-2 1-Boc-3-aminopiperidine144243-24-3

Elsewhere

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