Name: Name:4-OXO-4-(5-OXO-1,4-DIAZEPAN-1-YL)BUTANOICACID
Brand: Angene
SKU: AG00C8M3
Rating: 90 (10 reviews)

4-OXO-4-(5-OXO-1,4-DIAZEPAN-1-YL)BUTANOICACID

CAS No.:

397244-77-8

Catalog Number:

AG00C8M3

Molecular Formula:

C9H14N2O4

Molecular Weight:

214.2185

Catalog Number:

AG00C8M3

Chemical Name:

4-OXO-4-(5-OXO-1,4-DIAZEPAN-1-YL)BUTANOICACID

CAS Number:

397244-77-8

Molecular Formula:

C9H14N2O4

Molecular Weight:

214.2185

MDL Number:

MFCD01319265

IUPAC Name:

4-oxo-4-(5-oxo-1,4-diazepan-1-yl)butanoic acid

InChI:

InChI=1S/C9H14N2O4/c12-7-3-5-11(6-4-10-7)8(13)1-2-9(14)15/h1-6H2,(H,10,12)(H,14,15)

InChI Key:

HPEJKYWQIOKNFI-UHFFFAOYSA-N

SMILES:

OC(=O)CCC(=O)N1CCNC(=O)CC1

Complexity:

277

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

214.095g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

214.221g/mol

Monoisotopic Mass:

214.095g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

86.7A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-1.8