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Chemical ID: 6822921
Chemical ID:
6822921
Name [?]:
5-(2-ethoxycarbonylphenyl)amino-2-methyl-5-oxo-pentanoate
SMILES [?]:
CCOC(=O)c1ccccc1NC(=O)CCC(C)C(=O)[O-]
InChi [?]:
InChI=1/C15H19NO5/c1-3-21-15(20)11-6-4-5-7-12(11)16-13(17)9-8-10(2)14(18)19/h4-7,10H,3,8-9H2,1-2H3,(H,16,17)(H,18,19)/p-1
InChi Info:
AuxInfo=1/1/N:1,18,2,8,9,7,10,16,15,17,6,11,13,19,4,12,14,20,21,5,3/E:(18,19)/rA:21cCCOCOCCCCCCNCOCCCCCOO-/rB:s1;s2;s3;d4;s4;s6;d7;s8;d9;d6s10;s11;s12;d13;s13;s15;s16;s17;s17;d19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H18NO5- |
All Atoms: | 39 |
Heavy Atoms: | 21 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | -32.6123 |
Area: | 512.352 |
Solvation: | -45.4211 |
Coulombic: | -37.8787 |
Bond Count [?]
All: | 21 |
Single: | 15 |
Double: | 6 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 292.307 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 1.6 |
LogP (Chemaxon): | 2.66 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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