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Chemical ID: 5194990
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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