Chemical ID: 6715542

COc1ccccc1N2CC(CC2=O)C(=O)[O-]
Chemical ID:
6715542
Name [?]:
1-(2-methoxyphenyl)-5-oxo-pyrrolidine-3-carboxylate
SMILES [?]:
COc1ccccc1N2CC(CC2=O)C(=O)[O-]
InChi [?]:
InChI=1/C12H13NO4/c1-17-10-5-3-2-4-9(10)13-7-8(12(15)16)6-11(13)14/h2-5,8H,6-7H2,1H3,(H,15,16)/p-1
InChi Info:
AuxInfo=1/1/N:1,6,5,7,4,12,10,11,8,3,13,15,9,14,16,17,2/E:(15,16)/rA:17cCOCCCCCCNCCCCOCOO-/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s10;s11;s9s12;d13;s11;d15;s15;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H12NO4-
All Atoms:17
Heavy Atoms:17
Chiral Atoms:1
ZAP Information [?]
Total:-33.6923
Area:407.267
Solvation:-43.8739
Coulombic:-22.9872
Bond Count [?]
All:18
Single:13
Double:5
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:234.228
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:-0.12
LogP (Chemaxon):0.51

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Descriptor Annotations

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