Chemical ID: 4793479

COCCN(CCOC)C(=O)C1C2CC(C1C(=O)O)C=C2
Chemical ID:
4793479
Name [?]:
6-[bis(2-methoxyethyl)carbamoyl]bicyclo[2.2.1]hept-2-ene-5-carboxylic acid
SMILES [?]:
COCCN(CCOC)C(=O)C1C2CC(C1C(=O)O)C=C2
InChi [?]:
InChI=1/C15H23NO5/c1-20-7-5-16(6-8-21-2)14(17)12-10-3-4-11(9-10)13(12)15(18)19/h3-4,10-13H,5-9H2,1-2H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,9,21,20,4,6,3,7,14,13,15,12,16,10,17,5,11,18,19,2,8/E:(1,2)(5,6)(7,8)(18,19)(20,21)/rA:21cCOCCNCCOCCOCCCCCCOOCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s5;d10;s10;s12;s13;s14;s12s15;s16;d17;s17;s15;s13d20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H23NO5
All Atoms:21
Heavy Atoms:21
Chiral Atoms:4
ZAP Information [?]
Total:4.7976
Area:458.085
Solvation:-6.65454
Coulombic:-55.0971
Bond Count [?]
All:22
Single:19
Double:3
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:297.347
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:-0.19
LogP (Chemaxon):-0.16

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