ChemDB: Chemical Search
Download
Chemical ID: 4759774
Chemical ID:
4759774
Name [?]:
methyl 2-benzyloxycarbonylamino-3-hydroxy-butanoate
SMILES [?]:
CC(C(C(=O)OC)NC(=O)OCc1ccccc1)O
InChi [?]:
InChI=1/C13H17NO5/c1-9(15)11(12(16)18-2)14-13(17)19-8-10-6-4-3-5-7-10/h3-7,9,11,15H,8H2,1-2H3,(H,14,17)
InChi Info:
AuxInfo=1/1/N:1,7,16,15,17,14,18,12,2,13,3,4,9,8,19,5,10,6,11/E:(4,5)(6,7)/rA:19cCCCCOOCNCOOCCCCCCCO/rB:s1;s2;s3;d4;s4;s6;s3;s8;d9;s9;s11;s12;s13;d14;s15;d16;d13s17;s2;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H17NO5 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 8.4517 |
Area: | 473.276 |
Solvation: | -3.38019 |
Coulombic: | -71.1624 |
Bond Count [?]
All: | 19 |
Single: | 14 |
Double: | 5 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 267.278 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 1.15 |
LogP (Chemaxon): | 1.35 |
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 |
---|