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Chemical ID: 6677341
Chemical ID:
6677341
Name [?]:
ethyl 3-(2,3-dihydroxypropyl-(2-ethoxycarbonylethyl)amino)propanoate
SMILES [?]:
CCOC(=O)CCN(CCC(=O)OCC)CC(CO)O
InChi [?]:
InChI=1/C13H25NO6/c1-3-19-12(17)5-7-14(9-11(16)10-15)8-6-13(18)20-4-2/h11,15-16H,3-10H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,15,2,14,6,10,7,9,16,18,17,4,11,8,19,20,5,12,3,13/E:(1,2)(3,4)(5,6)(7,8)(12,13)(17,18)(19,20)/rA:20cCCOCOCCNCCCOOCCCCCOO/rB:s1;s2;s3;d4;s4;s6;s7;s8;s9;s10;d11;s11;s13;s14;s8;s16;s17;s18;s17;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H25NO6 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.13175 |
Area: | 532.426 |
Solvation: | -6.17891 |
Coulombic: | -72.707 |
Bond Count [?]
All: | 19 |
Single: | 17 |
Double: | 2 |
Rotors: | 13 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 291.341 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 7 |
XLogP: | -0.75 |
LogP (Chemaxon): | -0.46 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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