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Chemical ID: 6482965
Chemical ID:
6482965
Name [?]:
5-[cyclopropyl-(1-methyl-4-piperidyl)-amino]-5-oxo-pentanoic acid
SMILES [?]:
CN1CCC(CC1)N(C2CC2)C(=O)CCCC(=O)O
InChi [?]:
InChI=1/C14H24N2O3/c1-15-9-7-12(8-10-15)16(11-5-6-11)13(17)3-2-4-14(18)19/h11-12H,2-10H2,1H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,15,14,16,10,11,4,6,3,7,9,5,12,17,2,8,13,18,19/E:(5,6)(7,8)(9,10)(18,19)/rA:19nCNCCCCCNCCCCOCCCCOO/rB:s1;s2;s3;s4;s5;s2s6;s5;s8;s9;s9s10;s8;d12;s12;s14;s15;s16;d17;s17;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H24N2O3 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.01782 |
Area: | 478.897 |
Solvation: | -3.9546 |
Coulombic: | -44.3954 |
Bond Count [?]
All: | 20 |
Single: | 18 |
Double: | 2 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 268.352 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 0.52 |
LogP (Chemaxon): | -4.76 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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