Chemical ID: 5165965

c1cc2c(cc1CC(=O)N3CCCC3C(=O)O)OCO2
Chemical ID:
5165965
Name [?]:
1-(2-benzo[1,3]dioxol-5-ylacetyl)pyrrolidine-2-carboxylic acid
SMILES [?]:
c1cc2c(cc1CC(=O)N3CCCC3C(=O)O)OCO2
InChi [?]:
InChI=1/C14H15NO5/c16-13(15-5-1-2-10(15)14(17)18)7-9-3-4-11-12(6-9)20-8-19-11/h3-4,6,10H,1-2,5,7-8H2,(H,17,18)
InChi Info:
AuxInfo=1/1/N:12,13,1,2,11,5,7,19,6,14,3,4,8,15,10,9,16,17,20,18/E:(17,18)/rA:20cCCCCCCCCONCCCCCOOOCO/rB:s1;d2;s3;d4;d1s5;s6;s7;d8;s8;s10;s11;s12;s10s13;s14;d15;s15;s4;s18;s3s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H15NO5
All Atoms:20
Heavy Atoms:20
Chiral Atoms:1
ZAP Information [?]
Total:6.06596
Area:452.32
Solvation:-5.24205
Coulombic:-57.7745
Bond Count [?]
All:22
Single:17
Double:5
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:277.273
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:1.13
LogP (Chemaxon):1.05

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Descriptor Annotations

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