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

C₁₀H₂₀N₂O₂CAS 173340-26-6200.28 g/mol

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Carbamate Secondary amine

Properties

Molecular formula: C₁₀H₂₀N₂O₂
Molar mass: 200.28 g/mol
Exact mass: 200.1525 Da
logP: 1.12Crippen estimate
Polar surface area: 50.4 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 2
Stereocentres: Sin SMILES atom order

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

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, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

173340-26-6

SMILES

CC(C)(C)OC(=O)NC[C@H]1CCNC1

InChIKey

WIEJVMZWPIUWHO-QMMMGPOBSA-N

InChI

InChI=1S/C10H20N2O2/c1-10(2,3)14-9(13)12-7-8-4-5-11-6-8/h8,11H,4-7H2,1-3H3,(H,12,13)/t8-/m0/s1

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Names and synonyms

1 names

Carbamic acid, (3-pyrrolidinylmethyl)-, 1,1-dimethylethyl ester, (S)- (9ci)

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

3-Boc-aminomethylpyrrolidine149366-79-0Stereo not defined

Similar compounds

3-N-Boc-aminomethylpiperidine142643-29-685 % similar 4-(Boc-aminomethyl)piperidine135632-53-084 % similar (2-Piperidin-4-yl-ethyl)-carbamic acid tert-butyl ester165528-81-471 % similar trans-4-(Boc-aminomethyl)-cyclohexanemethanamine166168-16-763 % similar (S)-3-(Boc-amino)pyrrolidine122536-76-962 % similar 2-Boc-aminomethylpyrrolidine149649-58-159 % similar 1,7-Bis-boc-1,4,7-triazaheptane117499-16-859 % similar (1r,4r)-4-((((tert-Butoxy)carbonyl)amino)methyl)cyclohexane-1-carboxylic acid162046-58-459 % 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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