Chemical ID: 6721189

CC1CCCCC1NC(=O)C=CC(=O)[O-]
Chemical ID:
6721189
Name [?]:
4-(2-methylcyclohexyl)amino-4-oxo-but-2-enoate
SMILES [?]:
CC1CCCCC1NC(=O)C=CC(=O)[O-]
InChi [?]:
InChI=1/C11H17NO3/c1-8-4-2-3-5-9(8)12-10(13)6-7-11(14)15/h6-9H,2-5H2,1H3,(H,12,13)(H,14,15)/p-1
InChi Info:
AuxInfo=1/1/N:1,4,5,3,6,11,12,2,7,9,13,8,10,14,15/E:(14,15)/rA:15cCCCCCCCNCOCCCOO-/rB:s1;s2;s3;s4;s5;s2s6;s7;s8;d9;s9;w11;s12;d13;s13;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H16NO3-
All Atoms:31
Heavy Atoms:15
Chiral Atoms:2
ZAP Information [?]
Total:-33.1669
Area:404.613
Solvation:-43.2823
Coulombic:-22.6493
Bond Count [?]
All:15
Single:12
Double:3
Rotors:4
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:210.25
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:1.02
LogP (Chemaxon):1.41

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Descriptor Annotations

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