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Chemical ID: 5167194
Chemical ID:
5167194
Name [?]:
dimethyl 2-ethoxycarbonylaminopropanedioate
SMILES [?]:
CCOC(=O)NC(C(=O)OC)C(=O)OC
InChi [?]:
InChI=1/C8H13NO6/c1-4-15-8(12)9-5(6(10)13-2)7(11)14-3/h5H,4H2,1-3H3,(H,9,12)
InChi Info:
AuxInfo=1/1/N:1,11,15,2,7,8,12,4,6,9,13,5,10,14,3/E:(2,3)(6,7)(10,11)(13,14)/rA:15nCCOCONCCOOCCOOC/rB:s1;s2;s3;d4;s4;s6;s7;d8;s8;s10;s7;d12;s12;s14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C8H13NO6 |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.77536 |
Area: | 410.52 |
Solvation: | -3.48765 |
Coulombic: | -70.1968 |
Bond Count [?]
All: | 14 |
Single: | 11 |
Double: | 3 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 219.192 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 7 |
XLogP: | 0.15 |
LogP (Chemaxon): | -0.23 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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