ChemDB: Chemical Search
Download
Chemical ID: 6595702
Chemical ID:
6595702
Name [?]:
pyrrolidin-1-ylcarbonylmethyl 4-acetamidobenzoate
SMILES [?]:
CC(=O)Nc1ccc(cc1)C(=O)OCC(=O)N2CCCC2
InChi [?]:
InChI=1/C15H18N2O4/c1-11(18)16-13-6-4-12(5-7-13)15(20)21-10-14(19)17-8-2-3-9-17/h4-7H,2-3,8-10H2,1H3,(H,16,18)
InChi Info:
AuxInfo=1/1/N:1,19,20,7,9,6,10,18,21,14,2,8,5,15,11,4,17,3,16,12,13/E:(2,3)(4,5)(6,7)(8,9)/rA:21nCCONCCCCCCCOOCCONCCCC/rB:s1;d2;s2;s4;s5;d6;s7;d8;d5s9;s8;d11;s11;s13;s14;d15;s15;s17;s18;s19;s17s20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H18N2O4 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.49026 |
Area: | 510.039 |
Solvation: | -4.26072 |
Coulombic: | -54.7715 |
Bond Count [?]
All: | 22 |
Single: | 16 |
Double: | 6 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 290.315 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 1.03 |
LogP (Chemaxon): | 0.42 |
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 |
---|