Name: Name:3-Azabicyclo[3.3.1]nonane-3-carboxylic acid, 9-hydroxy-,1,1-dimethylethyl ester
Brand: Angene
SKU: AG00I7PO
Rating: 90 (10 reviews)

3-Azabicyclo[3.3.1]nonane-3-carboxylic acid, 9-hydroxy-,1,1-dimethylethyl ester

CAS No.:

389890-40-8

Catalog Number:

AG00I7PO

Molecular Formula:

C13H23NO3

Molecular Weight:

241.3266

Catalog Number:

AG00I7PO

Chemical Name:

3-Azabicyclo[3.3.1]nonane-3-carboxylic acid, 9-hydroxy-,1,1-dimethylethyl ester

CAS Number:

389890-40-8

Molecular Formula:

C13H23NO3

Molecular Weight:

241.3266

MDL Number:

MFCD22209592

IUPAC Name:

tert-butyl 9-hydroxy-3-azabicyclo[3.3.1]nonane-3-carboxylate

InChI:

InChI=1S/C13H23NO3/c1-13(2,3)17-12(16)14-7-9-5-4-6-10(8-14)11(9)15/h9-11,15H,4-8H2,1-3H3

InChI Key:

AEHTXFBIDXJCIR-UHFFFAOYSA-N

SMILES:

OC1C2CCCC1CN(C2)C(=O)OC(C)(C)C

Complexity:

284

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

241.168g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

241.331g/mol

Monoisotopic Mass:

241.168g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

49.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.8