ChemDB: Chemical Search
Download
Chemical ID: 4899744
Chemical ID:
4899744
Name [?]:
2-[(2-ethylphenyl)carbamoylamino]propanoic acid
SMILES [?]:
CCc1ccccc1NC(=O)NC(C)C(=O)O
InChi [?]:
InChI=1/C12H16N2O3/c1-3-9-6-4-5-7-10(9)14-12(17)13-8(2)11(15)16/h4-8H,3H2,1-2H3,(H,15,16)(H2,13,14,17)
InChi Info:
AuxInfo=1/1/N:1,14,2,5,6,4,7,13,3,8,15,10,12,9,16,17,11/E:(15,16)/rA:17cCCCCCCCCNCONCCCOO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s10;s12;s13;s13;d15;s15;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H16N2O3 |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.41005 |
Area: | 431.02 |
Solvation: | -2.36546 |
Coulombic: | -62.3635 |
Bond Count [?]
All: | 17 |
Single: | 12 |
Double: | 5 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 236.267 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 5 |
XLogP: | 1.51 |
LogP (Chemaxon): | 1.64 |
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 |
---|