Name: Name:tert-butyl 1-cyano-1-(hydroxymethyl)-6-azaspiro[2.5]octane-6-carboxylate
Brand: Angene
SKU: AG01EMQO
Rating: 90 (10 reviews)

tert-butyl 1-cyano-1-(hydroxymethyl)-6-azaspiro[2.5]octane-6-carboxylate

CAS No.:

2117977-44-1

Catalog Number:

AG01EMQO

Molecular Formula:

C14H22N2O3

Molecular Weight:

266.3361

Catalog Number:

AG01EMQO

Chemical Name:

tert-butyl 1-cyano-1-(hydroxymethyl)-6-azaspiro[2.5]octane-6-carboxylate

CAS Number:

2117977-44-1

Molecular Formula:

C14H22N2O3

Molecular Weight:

266.3361

MDL Number:

MFCD31667467

IUPAC Name:

tert-butyl 2-cyano-2-(hydroxymethyl)-6-azaspiro[2.5]octane-6-carboxylate

InChI:

InChI=1S/C14H22N2O3/c1-12(2,3)19-11(18)16-6-4-13(5-7-16)8-14(13,9-15)10-17/h17H,4-8,10H2,1-3H3

InChI Key:

PLESNEHOHLRUMG-UHFFFAOYSA-N

SMILES:

OCC1(C#N)CC21CCN(CC2)C(=O)OC(C)(C)C

Complexity:

424

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

266.163g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

266.341g/mol

Monoisotopic Mass:

266.163g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

73.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.7