Chemical ID: 6022804

c1cocc1C(=O)N(CCC(=O)O)CC2CCCO2
Chemical ID:
6022804
Name [?]:
3-(3-furylcarbonyl-(tetrahydrofuran-2-ylmethyl)amino)propanoic acid
SMILES [?]:
c1cocc1C(=O)N(CCC(=O)O)CC2CCCO2
InChi [?]:
InChI=1/C13H17NO5/c15-12(16)3-5-14(8-11-2-1-6-19-11)13(17)10-4-7-18-9-10/h4,7,9,11H,1-3,5-6,8H2,(H,15,16)
InChi Info:
AuxInfo=1/1/N:17,16,10,1,9,18,2,14,4,5,15,11,6,8,12,13,7,3,19/E:(15,16)/rA:19cCCOCCCONCCCOOCCCCCO/rB:d1;s2;s3;s1d4;s5;d6;s6;s8;s9;s10;d11;s11;s8;s14;s15;s16;s17;s15s18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H17NO5
All Atoms:19
Heavy Atoms:19
Chiral Atoms:1
ZAP Information [?]
Total:5.96637
Area:453.895
Solvation:-5.381
Coulombic:-55.2883
Bond Count [?]
All:20
Single:16
Double:4
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:267.278
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:0.07
LogP (Chemaxon):0.33

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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