ChemDB: Chemical Search
Download
Chemical ID: 5281827
Chemical ID:
5281827
Name [?]:
2-(tetrahydrofuran-2-ylmethylcarbamoylamino)propanoic acid
SMILES [?]:
CC(C(=O)O)NC(=O)NCC1CCCO1
InChi [?]:
InChI=1/C9H16N2O4/c1-6(8(12)13)11-9(14)10-5-7-3-2-4-15-7/h6-7H,2-5H2,1H3,(H,12,13)(H2,10,11,14)
InChi Info:
AuxInfo=1/1/N:1,13,12,14,10,2,11,3,7,9,6,4,5,8,15/E:(12,13)/rA:15cCCCOONCONCCCCCO/rB:s1;s2;d3;s3;s2;s6;d7;s7;s9;s10;s11;s12;s13;s11s14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H16N2O4 |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 6.56064 |
Area: | 407.803 |
Solvation: | -3.63444 |
Coulombic: | -68.9656 |
Bond Count [?]
All: | 15 |
Single: | 13 |
Double: | 2 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 216.234 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 6 |
XLogP: | -0.39 |
LogP (Chemaxon): | -0.5 |
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 |
---|