ChemDB: Chemical Search
Download
Chemical ID: 7290616
Chemical ID:
7290616
Name [?]:
methyl 1-(1-adamantylcarbonyl)-4-hydroxy-pyrrolidine-2-carboxylate
SMILES [?]:
COC(=O)C1CC(CN1C(=O)C23CC4CC(C2)CC(C4)C3)O
InChi [?]:
InChI=1/C17H25NO4/c1-22-15(20)14-5-13(19)9-18(14)16(21)17-6-10-2-11(7-17)4-12(3-10)8-17/h10-14,19H,2-9H2,1H3
InChi Info:
AuxInfo=1/0/N:1,15,18,20,6,17,13,21,8,16,14,19,7,5,3,10,12,9,22,4,11,2/E:(2,3,4)(6,7,8)(10,11,12)/rA:22cCOCOCCCCNCOCCCCCCCCCCO/rB:s1;s2;d3;s3;s5;s6;s7;s5s8;s9;d10;s10;s12;s13;s14;s15;s12s16;s16;s18;s14s19;s12s19;s7;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H25NO4 |
All Atoms: | 47 |
Heavy Atoms: | 22 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 7.41915 |
Area: | 459.883 |
Solvation: | -4.07793 |
Coulombic: | -51.9088 |
Bond Count [?]
All: | 25 |
Single: | 23 |
Double: | 2 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 307.385 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 2.09 |
LogP (Chemaxon): | 1.25 |
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 |
---|