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Chemical ID: 4257423
Chemical ID:
4257423
Name [?]:
5-oxo-5-piperazin-1-yl-pentanoic acid
SMILES [?]:
C1CN(CCN1)C(=O)CCCC(=O)O
InChi [?]:
InChI=1/C9H16N2O3/c12-8(2-1-3-9(13)14)11-6-4-10-5-7-11/h10H,1-7H2,(H,13,14)
InChi Info:
AuxInfo=1/1/N:10,9,11,1,5,2,4,7,12,6,3,8,13,14/E:(4,5)(6,7)(13,14)/rA:14nCCNCCNCOCCCCOO/rB:s1;s2;s3;s4;s1s5;s3;d7;s7;s9;s10;s11;d12;s12;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H16N2O3 |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.9392 |
Area: | 385.881 |
Solvation: | -3.70783 |
Coulombic: | -48.089 |
Bond Count [?]
All: | 14 |
Single: | 12 |
Double: | 2 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 200.235 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | -1.02 |
LogP (Chemaxon): | -4.91 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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