Chemical ID: 6022822

Cc1c(cco1)C(=O)N2CCCC(C2)C(=O)O
Chemical ID:
6022822
Name [?]:
1-[(2-methyl-3-furyl)carbonyl]piperidine-3-carboxylic acid
SMILES [?]:
Cc1c(cco1)C(=O)N2CCCC(C2)C(=O)O
InChi [?]:
InChI=1/C12H15NO4/c1-8-10(4-6-17-8)11(14)13-5-2-3-9(7-13)12(15)16/h4,6,9H,2-3,5,7H2,1H3,(H,15,16)
InChi Info:
AuxInfo=1/1/N:1,11,12,4,10,5,14,2,13,3,7,15,9,8,16,17,6/E:(15,16)/rA:17cCCCCCOCONCCCCCCOO/rB:s1;d2;s3;d4;s2s5;s3;d7;s7;s9;s10;s11;s12;s9s13;s13;d15;s15;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H15NO4
All Atoms:17
Heavy Atoms:17
Chiral Atoms:1
ZAP Information [?]
Total:6.6642
Area:408.605
Solvation:-3.55092
Coulombic:-48.7363
Bond Count [?]
All:18
Single:14
Double:4
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:237.252
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:0.33
LogP (Chemaxon):0.59

Name Annotations

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Descriptor Annotations

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