Chemical ID: 6727816

c1ccc(cc1)CN2CCN(C2=O)CC(=O)[O-]
Chemical ID:
6727816
Name [?]:
2-(3-benzyl-2-oxo-imidazolidin-1-yl)acetate
SMILES [?]:
c1ccc(cc1)CN2CCN(C2=O)CC(=O)[O-]
InChi [?]:
InChI=1/C12H14N2O3/c15-11(16)9-14-7-6-13(12(14)17)8-10-4-2-1-3-5-10/h1-5H,6-9H2,(H,15,16)/p-1
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,9,10,7,14,4,15,12,8,11,16,17,13/E:(2,3)(4,5)(15,16)/rA:17nCCCCCCCNCCNCOCCOO-/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;s8s11;d12;s11;s14;d15;s15;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H13N2O3-
All Atoms:30
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:-35.3856
Area:410.174
Solvation:-45.6399
Coulombic:-24.9319
Bond Count [?]
All:18
Single:13
Double:5
Rotors:4
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:233.243
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:0.04
LogP (Chemaxon):0.82

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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