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

C₁₀H₂₀N₂O₂CAS 119020-01-8200.28 g/mol

Open in Covalent MOL file

Carbamate Primary 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 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1
Stereocentres: Sin SMILES atom order

Hazards

Danger

H302 Harmful if swallowed89.1% of notifiers
H314 Causes severe skin burns and eye damage97.8% of notifiers

Aggregated from 46 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P405, P501

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

Weigh it out

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

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.

(+-)-2-(Aminomethyl)-1-N-Boc-pyrrolidine177911-87-4Stereo not defined

Similar compounds

2-(Aminomethyl)-1-boc-piperidine370069-31-191 % similar (R)-2-Aminomethyl-1-N-boc-piperidine683233-14-991 % similar tert-Butyl 2-(hydroxymethyl)pyrrolidine-1-carboxylate170491-63-169 % similar (S)-(-)-1-Boc-2-pyrrolidinemethanol69610-40-869 % similar N-(tert-Butoxycarbonyl)-D-prolinol83435-58-969 % similar (R)-tert-Butyl 2-(methoxymethyl)pyrrolidine-1-carboxylate578741-10-368 % similar 3-Aminomethyl-4-boc-morpholine475106-18-466 % similar 2-((2R)-1-((tert-Butoxy)carbonyl)pyrrolidin-2-yl)acetic acid101555-60-664 % 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-Boc-3-aminopiperidine144243-24-3 (S)-4-N-Boc-2-methylpiperazine147081-29-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook