Chemical ID: 5167194

CCOC(=O)NC(C(=O)OC)C(=O)OC
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

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Descriptor Annotations

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