chempirical

(S)-1-N-Boc-2-(aminomethyl)pyrrolidine

C10H20N2O2CAS 119020-01-8200.28 g/mol

Open in Covalent MOL file
OONH2N
CarbamatePrimary amine

Properties

Molecular formula
C10H20N2O2
Molar mass
200.28 g/mol
Exact mass
200.1525 Da
logP
1.34Crippen estimate
Polar surface area
55.6 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
119020-01-8
SMILES
CC(C)(C)OC(=O)N1CCC[C@H]1CN
InChIKey
SOGXYCNKQQJEED-QMMMGPOBSA-N
InChI
InChI=1S/C10H20N2O2/c1-10(2,3)14-9(13)12-6-4-5-8(12)7-11/h8H,4-7,11H2,1-3H3/t8-/m0/s1

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

Names and synonyms

1 names
  • tert-Butyl (2S)-2-(aminomethyl)pyrrolidine-1-carboxylate

Work with (S)-1-N-Boc-2-(aminomethyl)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

Similar compounds

tert-Butyl 2-(hydroxymethyl)pyrrolidine-1-carboxylate170491-63-169 % similar 2-((2R)-1-((tert-Butoxy)carbonyl)pyrrolidin-2-yl)acetic acid101555-60-664 % similar (2S)-1-[(1,1-Dimethylethoxy)carbonyl]-2-pyrrolidineacetic acid56502-01-364 % similar tert-Butyl 2-(2-hydroxyethyl)piperidine-1-carboxylate118811-03-362 % similar 1,1-Dimethylethyl (2S)-2-formyl-1-pyrrolidinecarboxylate69610-41-959 % similar (S)-3-Aminomethyl-1-piperidinecarboxylic acid tert-butyl ester140645-24-558 % similar 1-[(1,1-Dimethylethoxy)carbonyl]-2-piperidinepropanoic acid669713-96-658 % similar tert-Butyl (2S)-2-carbamothioylpyrrolidine-1-carboxylate101410-18-857 % 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 tert-Butyl 3-methylpiperazine-1-carboxylate120737-59-9 tert-Butyl 2-methylpiperazine-1-carboxylate120737-78-2 1,1-Dimethylethyl (3S)-3-(methylamino)-1-pyrrolidinecarboxylate147081-59-2 1,1-Dimethylethyl (2S)-2-methyl-1-piperazinecarboxylate169447-70-5

Elsewhere

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