Chemical ID: 6822921

CCOC(=O)c1ccccc1NC(=O)CCC(C)C(=O)[O-]
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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