Chemical ID: 7495816

CCNC(=O)c1ccccc1NC(=O)C=CC(=O)O
Chemical ID:
7495816
Name [?]:
4-[2-(ethylcarbamoyl)phenyl]amino-4-oxo-but-2-enoic acid
SMILES [?]:
CCNC(=O)c1ccccc1NC(=O)C=CC(=O)O
InChi [?]:
InChI=1/C13H14N2O4/c1-2-14-13(19)9-5-3-4-6-10(9)15-11(16)7-8-12(17)18/h3-8H,2H2,1H3,(H,14,19)(H,15,16)(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,2,8,9,7,10,15,16,6,11,13,17,4,3,12,14,18,19,5/E:(17,18)/rA:19nCCNCOCCCCCCNCOCCCOO/rB:s1;s2;s3;d4;s4;s6;d7;s8;d9;d6s10;s11;s12;d13;s13;w15;s16;d17;s17;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H14N2O4
All Atoms:33
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:8.54733
Area:471.093
Solvation:-3.23
Coulombic:-69.3904
Bond Count [?]
All:19
Single:12
Double:7
Rotors:7
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:262.261
H-Bond Donors:3
H-Bond Acceptors:6
XLogP:1.2
LogP (Chemaxon):1.47

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