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Chemical ID: 7343589
Chemical ID:
7343589
Name [?]:
4-(pyrrolidin-2-ylcarbonylaminomethyl)cyclohexane-1-carboxylic acid
SMILES [?]:
C1CC(NC1)C(=O)NCC2CCC(CC2)C(=O)O
InChi [?]:
InChI=1/C13H22N2O3/c16-12(11-2-1-7-14-11)15-8-9-3-5-10(6-4-9)13(17)18/h9-11,14H,1-8H2,(H,15,16)(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,2,11,15,12,14,5,9,10,13,3,6,16,4,8,7,17,18/E:(3,4)(5,6)(17,18)/rA:18cCCCNCCONCCCCCCCCOO/rB:s1;s2;s3;s1s4;s3;d6;s6;s8;s9;s10;s11;s12;s13;s10s14;s13;d16;s16;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H22N2O3 |
All Atoms: | 40 |
Heavy Atoms: | 18 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.83606 |
Area: | 456.487 |
Solvation: | -3.57612 |
Coulombic: | -55.4989 |
Bond Count [?]
All: | 19 |
Single: | 17 |
Double: | 2 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 254.325 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 5 |
XLogP: | 0.47 |
LogP (Chemaxon): | -4.22 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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