Chemical ID: 4257423

C1CN(CCN1)C(=O)CCCC(=O)O
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

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Descriptor Annotations

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