Chemical ID: 6708038

COc1ccc(cc1)N2CC(CC2=O)C(=O)[O-]
Chemical ID:
6708038
Name [?]:
1-(4-methoxyphenyl)-5-oxo-pyrrolidine-3-carboxylate
SMILES [?]:
COc1ccc(cc1)N2CC(CC2=O)C(=O)[O-]
InChi [?]:
InChI=1/C12H13NO4/c1-17-10-4-2-9(3-5-10)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:1,5,7,4,8,12,10,11,6,3,13,15,9,14,16,17,2/E:(2,3)(4,5)(15,16)/rA:17cCOCCCCCCNCCCCOCOO-/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;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:-31.7675
Area:407.276
Solvation:-41.9494
Coulombic:-24.3923
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

Name Annotations

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Descriptor Annotations

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