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Chemical ID: 4985918
Chemical ID:
4985918
Name [?]:
ethyl 2-(4-piperidylcarbonylamino)propanoate
SMILES [?]:
CCOC(=O)C(C)NC(=O)C1CCNCC1
InChi [?]:
InChI=1/C11H20N2O3/c1-3-16-11(15)8(2)13-10(14)9-4-6-12-7-5-9/h8-9,12H,3-7H2,1-2H3,(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,7,2,12,16,13,15,6,11,9,4,14,8,10,5,3/E:(4,5)(6,7)/rA:16cCCOCOCCNCOCCCNCC/rB:s1;s2;s3;d4;s4;s6;s6;s8;d9;s9;s11;s12;s13;s14;s11s15;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H20N2O3 |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.08588 |
Area: | 429.508 |
Solvation: | -2.65181 |
Coulombic: | -48.0652 |
Bond Count [?]
All: | 16 |
Single: | 14 |
Double: | 2 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 228.288 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 0.18 |
LogP (Chemaxon): | -0.41 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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