Chemical ID: 5194990

c1cc(cnc1)CNC(=O)CC2(CCCC2)CC(=O)O
Chemical ID:
5194990
Name [?]:
2-[1-(3-pyridylmethylcarbamoylmethyl)cyclopentyl]acetic acid
SMILES [?]:
c1cc(cnc1)CNC(=O)CC2(CCCC2)CC(=O)O
InChi [?]:
InChI=1/C15H20N2O3/c18-13(17-11-12-4-3-7-16-10-12)8-15(9-14(19)20)5-1-2-6-15/h3-4,7,10H,1-2,5-6,8-9,11H2,(H,17,18)(H,19,20)
InChi Info:
AuxInfo=1/1/N:14,15,1,2,13,16,6,11,17,4,7,3,9,18,12,5,8,10,19,20/E:(1,2)(5,6)(19,20)/rA:20nCCCCNCCNCOCCCCCCCCOO/rB:s1;d2;s3;d4;d1s5;s3;s7;s8;d9;s9;s11;s12;s13;s14;s12s15;s12;s17;d18;s18;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H20N2O3
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:8.87412
Area:477.65
Solvation:-3.06713
Coulombic:-51.2676
Bond Count [?]
All:21
Single:16
Double:5
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:276.331
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:1.81
LogP (Chemaxon):-0.13

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