Chemical ID: 6689833

c1ccc2c(c1)N(C(=O)CO2)CCC(=O)O
Chemical ID:
6689833
Name [?]:
3-(4-oxo-2-oxa-5-azabicyclo[4.4.0]deca-7,9,11-trien-5-yl)propanoic acid
SMILES [?]:
c1ccc2c(c1)N(C(=O)CO2)CCC(=O)O
InChi [?]:
InChI=1/C11H11NO4/c13-10-7-16-9-4-2-1-3-8(9)12(10)6-5-11(14)15/h1-4H,5-7H2,(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,13,12,10,5,4,8,14,7,9,15,16,11/E:(14,15)/rA:16nCCCCCCNCOCOCCCOO/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s8;s4s10;s7;s12;s13;d14;s14;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H11NO4
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:6.37407
Area:387.313
Solvation:-3.30877
Coulombic:-50.5613
Bond Count [?]
All:17
Single:12
Double:5
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:221.209
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:0.34
LogP (Chemaxon):0.32

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Descriptor Annotations

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