ChemDB: Chemical Search
Download
Chemical ID: 7177546
Chemical ID:
7177546
Name [?]:
2-(1-isopropyl-3-oxo-piperazin-2-yl)acetic acid
SMILES [?]:
CC(C)N1CCNC(=O)C1CC(=O)O
InChi [?]:
InChI=1/C9H16N2O3/c1-6(2)11-4-3-10-9(14)7(11)5-8(12)13/h6-7H,3-5H2,1-2H3,(H,10,14)(H,12,13)
InChi Info:
AuxInfo=1/1/N:1,3,6,5,11,2,10,12,8,7,4,13,14,9/E:(1,2)(12,13)/rA:14cCCCNCCNCOCCCOO/rB:s1;s2;s2;s4;s5;s6;s7;d8;s4s8;s10;s11;d12;s12;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H16N2O3 |
All Atoms: | 30 |
Heavy Atoms: | 14 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 5.57816 |
Area: | 349.61 |
Solvation: | -3.16209 |
Coulombic: | -50.6702 |
Bond Count [?]
All: | 14 |
Single: | 12 |
Double: | 2 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 200.235 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | -0.45 |
LogP (Chemaxon): | -3.08 |
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 |
---|