2-Boc-aminomethylpyrrolidine

C10H20N2O2CAS 149649-58-1200.28 g/mol

Open in Covalent MOL file
OONHHN
CarbamateSecondary amine

Properties

Molecular formula
C10H20N2O2
Molar mass
200.28 g/mol
Exact mass
200.1525 Da
logP
1.26Crippen estimate
Polar surface area
50.4 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
2

Hazards

Danger
Corrosive (GHS05)Irritant (GHS07)

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
149649-58-1
SMILES
CC(C)(C)OC(=O)NCC1CCCN1
InChIKey
DPJPFGHHTJLWQQ-UHFFFAOYSA-N
InChI
InChI=1S/C10H20N2O2/c1-10(2,3)14-9(13)12-7-8-5-4-6-11-8/h8,11H,4-7H2,1-3H3,(H,12,13)

Weigh it out

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

Names and synonyms

1 names
  • Pyrrolidin-2-ylmethyl-carbamic acid tert-butyl ester

Work with 2-Boc-aminomethylpyrrolidine

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 N-(((2R)-pyrrolidin-2-yl)methyl)carbamate719999-54-9Defined stereoisomer

Similar compounds

tert-Butyl N-((piperidin-2-yl)methyl)carbamate141774-61-091 % similar 3-N-Boc-aminomethylpiperidine142643-29-663 % similar 4-(Boc-aminomethyl)piperidine135632-53-061 % similar 3-(Boc-amino)piperidine172603-05-360 % similar tert-Butyl N-[(3S)-piperidin-3-yl]carbamate216854-23-860 % similar (R)-3-(Boc-amino)piperidine309956-78-360 % similar 3-Boc-aminomethylpyrrolidine149366-79-059 % similar (S)-3-N-Boc-aminomethyl pyrrolidine173340-26-659 % 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

PubChem CAS Common Chemistry NIST WebBook