Name: Name:9-Azabicyclo[3.3.1]nonane-3,9-dicarboxylic acid, 7-oxo-, 9-(1,1-dimethylethyl) 3-ethyl ester
Brand: Angene
SKU: AG001HCZ
Rating: 90 (10 reviews)

9-Azabicyclo[3.3.1]nonane-3,9-dicarboxylic acid, 7-oxo-, 9-(1,1-dimethylethyl) 3-ethyl ester

CAS No.:

1419101-15-7

Catalog Number:

AG001HCZ

Molecular Formula:

C16H25NO5

Molecular Weight:

311.3734

Catalog Number:

AG001HCZ

Chemical Name:

9-Azabicyclo[3.3.1]nonane-3,9-dicarboxylic acid, 7-oxo-, 9-(1,1-dimethylethyl) 3-ethyl ester

CAS Number:

1419101-15-7

Molecular Formula:

C16H25NO5

Molecular Weight:

311.3734

MDL Number:

MFCD28040378

IUPAC Name:

9-O-tert-butyl 3-O-ethyl 7-oxo-9-azabicyclo[3.3.1]nonane-3,9-dicarboxylate

InChI:

InChI=1S/C16H25NO5/c1-5-21-14(19)10-6-11-8-13(18)9-12(7-10)17(11)15(20)22-16(2,3)4/h10-12H,5-9H2,1-4H3

InChI Key:

KHUPXDHFHJDBPZ-UHFFFAOYSA-N

SMILES:

CCOC(=O)C1CC2CC(=O)CC(C1)N2C(=O)OC(C)(C)C

Complexity:

450

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

311.173g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

311.378g/mol

Monoisotopic Mass:

311.173g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

72.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.4