Chemical ID: 4416822

CCC1(CC(=O)N(C1=O)c2cccc(c2)C(=O)O)C
Chemical ID:
4416822
Name [?]:
3-(3-ethyl-3-methyl-2,5-dioxo-pyrrolidin-1-yl)benzoic acid
SMILES [?]:
CCC1(CC(=O)N(C1=O)c2cccc(c2)C(=O)O)C
InChi [?]:
InChI=1/C14H15NO4/c1-3-14(2)8-11(16)15(13(14)19)10-6-4-5-9(7-10)12(17)18/h4-7H,3,8H2,1-2H3,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,19,2,12,13,11,15,4,14,10,5,16,8,3,7,6,17,18,9/E:(17,18)/rA:19cCCCCCONCOCCCCCCCOOC/rB:s1;s2;s3;s4;d5;s5;s3s7;d8;s7;s10;d11;s12;d13;d10s14;s14;d16;s16;s3;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H15NO4
All Atoms:19
Heavy Atoms:19
Chiral Atoms:1
ZAP Information [?]
Total:7.58905
Area:441.372
Solvation:-3.44525
Coulombic:-51.2066
Bond Count [?]
All:20
Single:14
Double:6
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:261.273
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:1.42
LogP (Chemaxon):1.99

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