ChemDB: Chemical Search
Download
Chemical ID: 6532416
Chemical ID:
6532416
Name [?]:
ethyl 2-acetamido-4-methyl-pentanoate
SMILES [?]:
CCOC(=O)C(CC(C)C)NC(=O)C
InChi [?]:
InChI=1/C10H19NO3/c1-5-14-10(13)9(6-7(2)3)11-8(4)12/h7,9H,5-6H2,1-4H3,(H,11,12)
InChi Info:
AuxInfo=1/1/N:1,9,10,14,2,7,8,12,6,4,11,13,5,3/E:(2,3)/rA:14cCCOCOCCCCCNCOC/rB:s1;s2;s3;d4;s4;s6;s7;s8;s8;s6;s11;d12;s12;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H19NO3 |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 6.91599 |
Area: | 396.943 |
Solvation: | -3.00759 |
Coulombic: | -38.6091 |
Bond Count [?]
All: | 13 |
Single: | 11 |
Double: | 2 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 201.263 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 1.8 |
LogP (Chemaxon): | 0.86 |
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 |
---|