Chemical ID: 5274401

CC(C(=O)OC)N1C2C(NC(=O)N2)NC1=O
Chemical ID:
5274401
Name [?]:
methyl 2-(3,7-dioxo-2,4,6,8-tetrazabicyclo[3.3.0]oct-8-yl)propanoate
SMILES [?]:
CC(C(=O)OC)N1C2C(NC(=O)N2)NC1=O
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C8H12N4O4
All Atoms:16
Heavy Atoms:16
Chiral Atoms:3
ZAP Information [?]
Total:5.6579
Area:382.914
Solvation:-3.91495
Coulombic:-82.0857
Bond Count [?]
All:17
Single:14
Double:3
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:228.205
H-Bond Donors:3
H-Bond Acceptors:8
XLogP:-1.21
LogP (Chemaxon):-1.12

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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