Chemical ID: 5777966

CC(C)COc1ccc(cc1)N2CC(CC2=O)C(=O)O
Chemical ID:
5777966
Name [?]:
1-(4-isobutoxyphenyl)-5-oxo-pyrrolidine-3-carboxylic acid
SMILES [?]:
CC(C)COc1ccc(cc1)N2CC(CC2=O)C(=O)O
InChi [?]:
InChI=1/C15H19NO4/c1-10(2)9-20-13-5-3-12(4-6-13)16-8-11(15(18)19)7-14(16)17/h3-6,10-11H,7-9H2,1-2H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,3,8,10,7,11,15,13,4,2,14,9,6,16,18,12,17,19,20,5/E:(1,2)(3,4)(5,6)(18,19)/rA:20cCCCCOCCCCCCNCCCCOCOO/rB:s1;s2;s2;s4;s5;s6;d7;s8;d9;d6s10;s9;s12;s13;s14;s12s15;d16;s14;d18;s18;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H19NO4
All Atoms:20
Heavy Atoms:20
Chiral Atoms:1
ZAP Information [?]
Total:8.05188
Area:483.841
Solvation:-4.04413
Coulombic:-48.0956
Bond Count [?]
All:21
Single:16
Double:5
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:277.316
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:1.44
LogP (Chemaxon):1.72

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