ChemDB: Chemical Search
Download
Chemical ID: 4901609
Chemical ID:
4901609
Name [?]:
methyl 3-methyl-2-pyrrolidin-1-ylcarbonylamino-pentanoate
SMILES [?]:
CCC(C)C(C(=O)OC)NC(=O)N1CCCC1
InChi [?]:
InChI=1/C12H22N2O3/c1-4-9(2)10(11(15)17-3)13-12(16)14-7-5-6-8-14/h9-10H,4-8H2,1-3H3,(H,13,16)
InChi Info:
AuxInfo=1/1/N:1,4,9,2,15,16,14,17,3,5,6,11,10,13,7,12,8/E:(5,6)(7,8)/rA:17cCCCCCCOOCNCONCCCC/rB:s1;s2;s3;s3;s5;d6;s6;s8;s5;s10;d11;s11;s13;s14;s15;s13s16;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H22N2O3 |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 8.63357 |
Area: | 431.266 |
Solvation: | -2.14808 |
Coulombic: | -50.2735 |
Bond Count [?]
All: | 17 |
Single: | 15 |
Double: | 2 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 242.315 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 1.45 |
LogP (Chemaxon): | 1.14 |
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 |
---|