CAS 199174-29-3|CAS 270912-72-6|(3R)-3-(Aminomethyl)pyrrolidine, N1-BOC protected|tert-butyl (3R)-3-(aminomethyl)pyrrolidine-1-carboxylate|tert-butyl (3R)-3-(aminomethyl)pyrrolidine-1-carboxylate|(3...

General Information

Structure

Molecular Formula

C₁₀H₂₀N₂O₂

Molecular Mass

200.278

Exact Mass

200.15247789

Charge

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-/m1/s1

InChIKey

OGCCBDIYOAFOGK-MRVPVSSYSA-N

Canonic Smiles

NC[C@H]1CCN(C1)C(=O)OC(C)(C)C

Isomeric Smiles

C(=O)(N1C[C@H](CC1)CN)OC(C)(C)C

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

-2.6501505

LogD (pH = 7.4)

-1.9358399

Log P

0.35908118

Molar Refractivity

55.1885

Polarizability

21.854008

Polar Surface Area

55.56

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

Synonyms

(3R)-3-(Aminomethyl)pyrrolidine, N1-BOC protected(3R)-3-(Aminomethyl)-1-(tert-butoxycarbonyl)pyrrolidinetert-Butyl (3R)-3-(aminomethyl)pyrrolidine-1-carboxylate(R)-1-Boc-3-(Aminomethyl)pyrrolidinetert-butyl (3R)-3-(aminomethyl)pyrrolidine-1-carboxylate(R)-3-(Aminomethyl)-N-Boc pyrrolidine

IUPAC Traditional name

tert-butyl (3R)-3-(aminomethyl)pyrrolidine-1-carboxylate

IUPAC name

tert-butyl (3R)-3-(aminomethyl)pyrrolidine-1-carboxylate

Names and Identifiers

Registration numbers

CAS Number

199174-29-3270912-72-6

PubChem CID

1515152

PubChem SID

162030448