Chemical ID: 4932338

c1cc2c(cc1C(c3ccc4c(c3)OCO4)N5C(CCC5=O)C(=O)O)OCO2
Chemical ID:
4932338
Name [?]:
1-(dibenzo[1,3]dioxol-5-ylmethyl)-5-oxo-pyrrolidine-2-carboxylic acid
SMILES [?]:
c1cc2c(cc1C(c3ccc4c(c3)OCO4)N5C(CCC5=O)C(=O)O)OCO2
InChi [?]:
InChI=1/C20H17NO7/c22-18-6-3-13(20(23)24)21(18)19(11-1-4-14-16(7-11)27-9-25-14)12-2-5-15-17(8-12)28-10-26-15/h1-2,4-5,7-8,13,19H,3,6,9-10H2,(H,23,24)
InChi Info:
AuxInfo=1/1/N:1,9,19,2,10,20,5,13,27,15,6,8,18,3,11,4,12,21,7,23,17,22,24,25,28,16,26,14/E:(1,2)(4,5)(7,8)(9,10)(11,12)(14,15)(16,17)(23,24)(25,26)(27,28)/rA:28cCCCCCCCCCCCCCOCONCCCCOCOOOCO/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;d9;s10;d11;d8s12;s12;s14;s11s15;s7;s17;s18;s19;s17s20;d21;s18;d23;s23;s4;s26;s3s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H17NO7
All Atoms:28
Heavy Atoms:28
Chiral Atoms:1
ZAP Information [?]
Total:6.45751
Area:533.931
Solvation:-6.89077
Coulombic:-74.4574
Bond Count [?]
All:32
Single:24
Double:8
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:383.352
H-Bond Donors:1
H-Bond Acceptors:8
XLogP:2.11
LogP (Chemaxon):2.33

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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