Chemical ID: 6485552

c1ccnc(c1)CNC(=O)CC2(CCCC2)CC(=O)O
Chemical ID:
6485552
Name [?]:
2-[1-(2-pyridylmethylcarbamoylmethyl)cyclopentyl]acetic acid
SMILES [?]:
c1ccnc(c1)CNC(=O)CC2(CCCC2)CC(=O)O
InChi [?]:
InChI=1/C15H20N2O3/c18-13(17-11-12-5-1-4-8-16-12)9-15(10-14(19)20)6-2-3-7-15/h1,4-5,8H,2-3,6-7,9-11H2,(H,17,18)(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,14,15,2,6,13,16,3,11,17,7,5,9,18,12,4,8,10,19,20/E:(2,3)(6,7)(19,20)/rA:20nCCCNCCCNCOCCCCCCCCOO/rB:s1;d2;s3;d4;d1s5;s5;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:8.95757
Area:478.161
Solvation:-2.99646
Coulombic:-51.6315
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:1.9
LogP (Chemaxon):0.46

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