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Chemical ID: 7029268
Chemical ID:
7029268
Name [?]:
2-[1-(piperazin-1-ylcarbonylmethyl)cyclopentyl]acetic acid
SMILES [?]:
C1CCC(C1)(CC(=O)N2CCNCC2)CC(=O)O
InChi [?]:
InChI=1/C13H22N2O3/c16-11(15-7-5-14-6-8-15)9-13(10-12(17)18)3-1-2-4-13/h14H,1-10H2,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,2,5,3,11,13,10,14,6,15,7,16,4,12,9,8,17,18/E:(1,2)(3,4)(5,6)(7,8)(17,18)/rA:18nCCCCCCCONCCNCCCCOO/rB:s1;s2;s3;s1s4;s4;s6;d7;s7;s9;s10;s11;s12;s9s13;s4;s15;d16;s16;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H22N2O3 |
All Atoms: | 40 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.06463 |
Area: | 428.716 |
Solvation: | -2.65327 |
Coulombic: | -50.0382 |
Bond Count [?]
All: | 19 |
Single: | 17 |
Double: | 2 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 254.325 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 0.9 |
LogP (Chemaxon): | -3.84 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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