ChemDB: Chemical Search
Download
Chemical ID: 5836666
Chemical ID:
5836666
Name [?]:
4-oxo-4-(3-oxopiperazin-1-yl)-butanoic acid
SMILES [?]:
C1CN(CC(=O)N1)C(=O)CCC(=O)O
InChi [?]:
InChI=1/C8H12N2O4/c11-6-5-10(4-3-9-6)7(12)1-2-8(13)14/h1-5H2,(H,9,11)(H,13,14)
InChi Info:
AuxInfo=1/1/N:10,11,1,2,4,5,8,12,7,3,6,9,13,14/E:(13,14)/rA:14nCCNCCONCOCCCOO/rB:s1;s2;s3;s4;d5;s1s5;s3;d8;s8;s10;s11;d12;s12;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C8H12N2O4 |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.48005 |
Area: | 371.251 |
Solvation: | -3.80123 |
Coulombic: | -60.2288 |
Bond Count [?]
All: | 14 |
Single: | 11 |
Double: | 3 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 200.192 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | -1.82 |
LogP (Chemaxon): | -2.0 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|