Chemical ID: 4932335

COc1ccc(cc1OC)C(c2ccccc2)N3C(CCC3=O)C(=O)O
Chemical ID:
4932335
Name [?]:
1-[(3,4-dimethoxyphenyl)-phenyl-methyl]-5-oxo-pyrrolidine-2-carboxylic acid
SMILES [?]:
COc1ccc(cc1OC)C(c2ccccc2)N3C(CCC3=O)C(=O)O
InChi [?]:
InChI=1/C20H21NO5/c1-25-16-10-8-14(12-17(16)26-2)19(13-6-4-3-5-7-13)21-15(20(23)24)9-11-18(21)22/h3-8,10,12,15,19H,9,11H2,1-2H3,(H,23,24)
InChi Info:
AuxInfo=1/1/N:1,10,15,14,16,13,17,5,20,4,21,7,12,6,19,3,8,22,11,24,18,23,25,26,2,9/E:(4,5)(6,7)(23,24)/rA:26cCOCCCCCCOCCCCCCCCNCCCCOCOO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;s11;s12;d13;s14;d15;d12s16;s11;s18;s19;s20;s18s21;d22;s19;d24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H21NO5
All Atoms:26
Heavy Atoms:26
Chiral Atoms:2
ZAP Information [?]
Total:6.04826
Area:525.446
Solvation:-7.08789
Coulombic:-57.3959
Bond Count [?]
All:28
Single:20
Double:8
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:355.384
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:2.16
LogP (Chemaxon):2.46

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