Chemical ID: 4677154

C1COCCN1C(=O)C2C3CC(C2C(=O)O)C=C3
Chemical ID:
4677154
Name [?]:
6-morpholinocarbonylbicyclo[2.2.1]hept-2-ene-5-carboxylic acid
SMILES [?]:
C1COCCN1C(=O)C2C3CC(C2C(=O)O)C=C3
InChi [?]:
InChI=1/C13H17NO4/c15-12(14-3-5-18-6-4-14)10-8-1-2-9(7-8)11(10)13(16)17/h1-2,8-11H,3-7H2,(H,16,17)
InChi Info:
AuxInfo=1/1/N:18,17,1,5,2,4,11,10,12,9,13,7,14,6,8,15,16,3/E:(3,4)(5,6)(16,17)/rA:18cCCOCCNCOCCCCCCOOCC/rB:s1;s2;s3;s4;s1s5;s6;d7;s7;s9;s10;s11;s9s12;s13;d14;s14;s12;s10d17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H17NO4
All Atoms:18
Heavy Atoms:18
Chiral Atoms:4
ZAP Information [?]
Total:5.39502
Area:393.285
Solvation:-4.43711
Coulombic:-49.1439
Bond Count [?]
All:20
Single:17
Double:3
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:251.278
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:-0.21
LogP (Chemaxon):-0.18

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue