ChemDB: Chemical Search
Download
Chemical ID: 4264893
Chemical ID:
4264893
Name [?]:
6-formamido-2-tert-butoxycarbonylamino-hexanoic acid
SMILES [?]:
CC(C)(C)OC(=O)NC(CCCCNC=O)C(=O)O
InChi [?]:
InChI=1/C12H22N2O5/c1-12(2,3)19-11(18)14-9(10(16)17)6-4-5-7-13-8-15/h8-9H,4-7H2,1-3H3,(H,13,15)(H,14,18)(H,16,17)
InChi Info:
AuxInfo=1/1/N:1,3,4,11,12,10,13,15,9,17,6,2,14,8,16,18,19,7,5/E:(1,2,3)(16,17)/rA:19cCCCCOCONCCCCCNCOCOO/rB:s1;s2;s2;s2;s5;d6;s6;s8;s9;s10;s11;s12;s13;s14;d15;s9;d17;s17;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H22N2O5 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.37049 |
Area: | 505.041 |
Solvation: | -4.25553 |
Coulombic: | -79.3746 |
Bond Count [?]
All: | 18 |
Single: | 15 |
Double: | 3 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 274.314 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 7 |
XLogP: | 1.0 |
LogP (Chemaxon): | 0.24 |
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 |
---|