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Chemical ID: 6485552
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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