CAS 228244-20-0|CAS 228244-04-0|CAS 144688-70-0|tert-butyl (2R)-2-cyanopyrrolidine-1-carboxylate|(2R)-2-Cyanopyrrolidine, N-BOC protected|(R)-N-BOC-2-pyrrolidinonitrile|tert-butyl (2R)-2-cyanopyrrol...

General Information

Structure

Molecular Formula

C₁₀H₁₆N₂O₂

Molecular Mass

196.24624

Exact Mass

196.12117776

Charge

InChI

InChI=1S/C10H16N2O2/c1-10(2,3)14-9(13)12-6-4-5-8(12)7-11/h8H,4-6H2,1-3H3/t8-/m1/s1

InChIKey

MDMSZBHMBCNYNO-MRVPVSSYSA-N

Canonic Smiles

N#C[C@H]1CCCN1C(=O)OC(C)(C)C

Isomeric Smiles

N1(CCC[C@@H]1C#N)C(=O)OC(C)(C)C

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

1.2440006

LogD (pH = 7.4)

1.2440006

Log P

1.2440006

Molar Refractivity

52.0387

Polarizability

20.195545

Polar Surface Area

53.33

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC name

tert-butyl (2R)-2-cyanopyrrolidine-1-carboxylate

Synonyms

(2R)-2-Cyanopyrrolidine, N-BOC protected(R)-N-BOC-2-pyrrolidinonitrile1-Boc-2-Cyanopyrrolidine(S)-(-)-1-Boc-pyrrolidine-2-carbonitrile(S)-(-)-1-Boc-2-cyanopyrrolidine(R)-1-Boc-2-Cyanopyrrolidine(R)-(+)-1-Boc-2-吡咯烷甲腈(R)-(+)-1-Boc-2-pyrrolidinecarbonitrile

IUPAC Traditional name

tert-butyl (2R)-2-cyanopyrrolidine-1-carboxylate

Names and Identifiers

Registration numbers

MDL Number

MFCD06411382MFCD01861224MFCD01861225

PubChem SID

24883518162076009

CAS Number

228244-20-0228244-04-0144688-70-0

PubChem CID

2756788