Name: Name:Cis-5-Tert-Butyl 8A-Ethyl Octahydropyrrolo[3,4-C]Azepine-5,8A(1H)-Dicarboxylate
Brand: Angene
SKU: AG00HSSH
Rating: 90 (10 reviews)

Cis-5-Tert-Butyl 8A-Ethyl Octahydropyrrolo[3,4-C]Azepine-5,8A(1H)-Dicarboxylate

CAS No.:

1330766-26-1

Catalog Number:

AG00HSSH

Molecular Formula:

C16H28N2O4

Molecular Weight:

312.4045

Catalog Number:

AG00HSSH

Chemical Name:

Cis-5-Tert-Butyl 8A-Ethyl Octahydropyrrolo[3,4-C]Azepine-5,8A(1H)-Dicarboxylate

CAS Number:

1330766-26-1

Molecular Formula:

C16H28N2O4

Molecular Weight:

312.4045

MDL Number:

MFCD20230910

IUPAC Name:

5-O-tert-butyl 8a-O-ethyl (3aR,8aR)-1,2,3,3a,4,6,7,8-octahydropyrrolo[3,4-c]azepine-5,8a-dicarboxylate

InChI:

InChI=1S/C16H28N2O4/c1-5-21-13(19)16-7-6-8-18(10-12(16)9-17-11-16)14(20)22-15(2,3)4/h12,17H,5-11H2,1-4H3/t12-,16+/m1/s1

InChI Key:

ZLOQUTOOZGRYOE-WBMJQRKESA-N

SMILES:

CCOC(=O)[C@@]12CCCN(C[C@H]2CNC1)C(=O)OC(C)(C)C

Complexity:

432

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

312.205g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

312.41g/mol

Monoisotopic Mass:

312.205g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

67.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.2