(S)-(-)-1-tert-Butoxycarbonyl-3-aminopyrrolidine

C₉H₁₈N₂O₂CAS 147081-44-5186.25 g/mol

Open in Covalent MOL file

Carbamate Primary amine

Properties

Molecular formula: C₉H₁₈N₂O₂
Molar mass: 186.25 g/mol
Exact mass: 186.1368 Da
logP: 0.95Crippen estimate
Polar surface area: 55.6 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 0
Stereocentres: Sin SMILES atom order

Hazards

Danger

H301 Toxic if swallowed86% of notifiers
H318 Causes serious eye damage88% of notifiers

Aggregated from 50 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P270, P280, P301+P316, P305+P354+P338, P317, P321, P330, P405, P501

Identifiers

CAS number

147081-44-5

SMILES

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

InChIKey

CMIBWIAICVBURI-ZETCQYMHSA-N

InChI

InChI=1S/C9H18N2O2/c1-9(2,3)13-8(12)11-5-4-7(10)6-11/h7H,4-6,10H2,1-3H3/t7-/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-aminopyrrolidine-1-carboxylate

Work with (S)-(-)-1-tert-Butoxycarbonyl-3-aminopyrrolidine

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)-tert-Butyl 3-aminopyrrolidine-1-carboxylate147081-49-0Enantiomer tert-Butyl 3-aminopyrrolidine-1-carboxylate186550-13-0Stereo not defined

Similar compounds

1-Boc-3-aminopiperidine144243-24-383 % similar N-Boc-3-aminopiperidine184637-48-783 % similar (R)-1-Boc-3-aminopiperidine188111-79-783 % similar (S)-tert-Butyl 3-aminopiperidine-1-carboxylate625471-18-383 % similar tert-Butyl 4-aminopiperidine-1-carboxylate87120-72-782 % similar 1-Boc-3-(amino)azetidine193269-78-276 % similar 1-Boc-hexahydro-1H-azepin-4-amine196613-57-773 % similar (R)-N-Boc-3-(aminomethyl)pyrrolidine199174-29-364 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(S)-3-(Boc-amino)pyrrolidine122536-76-9 (3R)-(+)-3-(tert-Butoxycarbonylamino)pyrrolidine122536-77-0 1-Boc-3-(aminomethyl)azetidine325775-44-8 1-Boc-3-methylaminoazetidine454703-20-9 Dimorpholinomethane5625-90-1 tert-Butyl piperazine-1-carboxylate57260-71-6

Elsewhere

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