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Chemical ID: 6352067
Chemical ID:
6352067
Name [?]:
5-oxo-5-(1-piperidyl)pentanoic acid
SMILES [?]:
C1CCN(CC1)C(=O)CCCC(=O)O
InChi [?]:
InChI=1/C10H17NO3/c12-9(5-4-6-10(13)14)11-7-2-1-3-8-11/h1-8H2,(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,2,6,10,9,11,3,5,7,12,4,8,13,14/E:(2,3)(7,8)(13,14)/rA:14nCCCNCCCOCCCCOO/rB:s1;s2;s3;s4;s1s5;s4;d7;s7;s9;s10;s11;d12;s12;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H17NO3 |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.48054 |
Area: | 388.91 |
Solvation: | -3.2422 |
Coulombic: | -40.2006 |
Bond Count [?]
All: | 14 |
Single: | 12 |
Double: | 2 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 199.247 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 0.44 |
LogP (Chemaxon): | 0.37 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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