Name: Name:1H-Azepine-1,4-dicarboxylic acid, hexahydro-3-oxo-,1-(1,1-dimethylethyl) 4-ethyl ester
Brand: Angene
SKU: AG00IK77
Rating: 90 (10 reviews)

1H-Azepine-1,4-dicarboxylic acid, hexahydro-3-oxo-,1-(1,1-dimethylethyl) 4-ethyl ester

CAS No.:

98977-38-9

Catalog Number:

AG00IK77

Molecular Formula:

C14H23NO5

Molecular Weight:

285.3361

Catalog Number:

AG00IK77

Chemical Name:

1H-Azepine-1,4-dicarboxylic acid, hexahydro-3-oxo-,1-(1,1-dimethylethyl) 4-ethyl ester

CAS Number:

98977-38-9

Molecular Formula:

C14H23NO5

Molecular Weight:

285.3361

MDL Number:

MFCD24466182

IUPAC Name:

1-O-tert-butyl 4-O-ethyl 3-oxoazepane-1,4-dicarboxylate

InChI:

InChI=1S/C14H23NO5/c1-5-19-12(17)10-7-6-8-15(9-11(10)16)13(18)20-14(2,3)4/h10H,5-9H2,1-4H3

InChI Key:

STZNGLKBJPCWIB-UHFFFAOYSA-N

SMILES:

CCOC(=O)C1CCCN(CC1=O)C(=O)OC(C)(C)C

Complexity:

386

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

285.158g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

285.34g/mol

Monoisotopic Mass:

285.158g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

72.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.9