Chemical ID: 6677341

CCOC(=O)CCN(CCC(=O)OCC)CC(CO)O
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

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