ChemDB: Chemical Search
Download
Chemical ID: 4278191
Chemical ID:
4278191
Name [?]:
5-dibenzylamino-5-oxo-pentanoic acid
SMILES [?]:
c1ccc(cc1)CN(Cc2ccccc2)C(=O)CCCC(=O)O
InChi [?]:
InChI=1/C19H21NO3/c21-18(12-7-13-19(22)23)20(14-16-8-3-1-4-9-16)15-17-10-5-2-6-11-17/h1-6,8-11H,7,12-15H2,(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,13,2,6,12,14,19,3,5,11,15,18,20,7,9,4,10,16,21,8,17,22,23/E:(1,2)(3,4,5,6)(8,9,10,11)(14,15)(16,17)(22,23)/rA:23nCCCCCCCNCCCCCCCCOCCCCOO/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;d11;s12;d13;d10s14;s8;d16;s16;s18;s19;s20;d21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H21NO3 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.50691 |
Area: | 537.563 |
Solvation: | -3.93217 |
Coulombic: | -43.6189 |
Bond Count [?]
All: | 24 |
Single: | 16 |
Double: | 8 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 311.375 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.0 |
LogP (Chemaxon): | 3.2 |
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 |
---|