ChemDB: Chemical Search
Download
Chemical ID: 6691845
Chemical ID:
6691845
Name [?]:
methyl tert-butyl 2-aminopentanedioate
SMILES [?]:
CC(C)(C)OC(=O)CCC(C(=O)OC)N
InChi [?]:
InChI=1/C10H19NO4/c1-10(2,3)15-8(12)6-5-7(11)9(13)14-4/h7H,5-6,11H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,3,4,14,9,8,10,6,11,2,15,7,12,13,5/E:(1,2,3)/rA:15cCCCCOCOCCCCOOCN/rB:s1;s2;s2;s2;s5;d6;s6;s8;s9;s10;d11;s11;s13;s10;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H19NO4 |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.76259 |
Area: | 420.314 |
Solvation: | -2.74526 |
Coulombic: | -48.766 |
Bond Count [?]
All: | 14 |
Single: | 12 |
Double: | 2 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 217.262 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 0.76 |
LogP (Chemaxon): | 0.0 |
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 |
---|