Chemical ID: 5729271

c1ccc(c(c1)C(=O)NCC[NH+]2CCCC2)C(=O)O
Chemical ID:
5729271
Name [?]:
2-[2-(2,3,4,5-tetrahydropyrrol-1-yl)ethylcarbamoyl]benzoic acid
SMILES [?]:
c1ccc(c(c1)C(=O)NCC[NH+]2CCCC2)C(=O)O
InChi [?]:
InChI=1/C14H18N2O3/c17-13(15-7-10-16-8-3-4-9-16)11-5-1-2-6-12(11)14(18)19/h1-2,5-6H,3-4,7-10H2,(H,15,17)(H,18,19)/p+1
InChi Info:
AuxInfo=1/1/N:1,2,14,15,6,3,10,13,16,11,5,4,7,17,9,12,8,18,19/E:(3,4)(8,9)(18,19)/rA:19nCCCCCCCONCCN+CCCCCOO/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s9;s10;s11;s12;s13;s14;s12s15;s4;d17;s17;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H19N2O3+
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:-21.3261
Area:462.685
Solvation:-32.8932
Coulombic:-18.8699
Bond Count [?]
All:20
Single:15
Double:5
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:263.312
H-Bond Donors:3
H-Bond Acceptors:5
XLogP:1.4
LogP (Chemaxon):-2.96

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