ChemDB: Chemical Search
Download
Chemical ID: 7043177
Chemical ID:
7043177
Name [?]:
5-[2-[1-(dimethylcarbamoylmethyl)cyclopentyl]acetyl]amino-2-hydroxy-benzoic acid
SMILES [?]:
CN(C)C(=O)CC1(CCCC1)CC(=O)Nc2ccc(c(c2)C(=O)O)O
InChi [?]:
InChI=1/C18H24N2O5/c1-20(2)16(23)11-18(7-3-4-8-18)10-15(22)19-12-5-6-14(21)13(9-12)17(24)25/h5-6,9,21H,3-4,7-8,10-11H2,1-2H3,(H,19,22)(H,24,25)
InChi Info:
AuxInfo=1/1/N:1,3,9,10,17,18,8,11,21,12,6,16,20,19,13,4,22,7,15,2,25,14,5,23,24/E:(1,2)(3,4)(7,8)(24,25)/rA:25nCNCCOCCCCCCCCONCCCCCCCOOO/rB:s1;s2;s2;d4;s4;s6;s7;s8;s9;s7s10;s7;s12;d13;s13;s15;s16;d17;s18;d19;d16s20;s20;d22;s22;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H24N2O5 |
All Atoms: | 49 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.25274 |
Area: | 549.785 |
Solvation: | -4.49189 |
Coulombic: | -77.9446 |
Bond Count [?]
All: | 26 |
Single: | 20 |
Double: | 6 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 348.394 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 7 |
XLogP: | 2.83 |
LogP (Chemaxon): | 2.12 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|