(S)-1-Boc-3-(aminomethyl)pyrrolidine

C₁₀H₂₀N₂O₂CAS 199175-10-5200.28 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: 1.20Crippen estimate
Polar surface area: 55.6 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1
Stereocentres: Sin SMILES atom order

Hazards

Warning

H302 Harmful if swallowed97.6% of notifiers
H319 Causes serious eye irritation95.2% of notifiers

Aggregated from 42 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, P501

Identifiers

CAS number

199175-10-5

SMILES

CC(C)(C)OC(=O)N1CC[C@H](C1)CN

InChIKey

OGCCBDIYOAFOGK-QMMMGPOBSA-N

InChI

InChI=1S/C10H20N2O2/c1-10(2,3)14-9(13)12-5-4-8(6-11)7-12/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 (3S)-3-(aminomethyl)pyrrolidine-1-carboxylate

Work with (S)-1-Boc-3-(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.

(R)-N-Boc-3-(aminomethyl)pyrrolidine199174-29-3Enantiomer

Similar compounds

tert-Butyl (3R)-3-(aminomethyl)piperidine-1-carboxylate140645-23-484 % similar (S)-3-Aminomethyl-1-piperidinecarboxylic acid tert-butyl ester140645-24-584 % similar 1-Boc-3-(aminomethyl)piperidine162167-97-784 % similar 1-Boc-4-(aminomethyl)piperidine144222-22-083 % similar 1-Boc-3-(aminomethyl)azetidine325775-44-877 % similar tert-Butyl 3-(hydroxymethyl)pyrrolidine-1-carboxylate114214-69-669 % similar tert-Butyl (3R)-3-(hydroxymethyl)pyrrolidine-1-carboxylate138108-72-269 % similar (S)-3-Hydroxymethyl-pyrrolidine-1-carboxylic acid tert-butyl ester199174-24-869 % 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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