Chemical ID: 6482965

CN1CCC(CC1)N(C2CC2)C(=O)CCCC(=O)O
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

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