Chemical ID: 6734946

CCOc1ccc(cc1)N2CC(CC2=O)C(=O)[O-]
Chemical ID:
6734946
Name [?]:
1-(4-ethoxyphenyl)-5-oxo-pyrrolidine-3-carboxylate
SMILES [?]:
CCOc1ccc(cc1)N2CC(CC2=O)C(=O)[O-]
InChi [?]:
InChI=1/C13H15NO4/c1-2-18-11-5-3-10(4-6-11)14-8-9(13(16)17)7-12(14)15/h3-6,9H,2,7-8H2,1H3,(H,16,17)/p-1
InChi Info:
AuxInfo=1/1/N:1,2,6,8,5,9,13,11,12,7,4,14,16,10,15,17,18,3/E:(3,4)(5,6)(16,17)/rA:18cCCOCCCCCCNCCCCOCOO-/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;s11;s12;s10s13;d14;s12;d16;s16;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H14NO4-
All Atoms:32
Heavy Atoms:18
Chiral Atoms:1
ZAP Information [?]
Total:-30.9654
Area:435.08
Solvation:-41.8424
Coulombic:-24.6369
Bond Count [?]
All:19
Single:14
Double:5
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:248.255
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:0.3
LogP (Chemaxon):0.85

Name Annotations

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Descriptor Annotations

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