Chemical ID: 5277828

CCCCC(CC)CNC(=O)NC(C(C)C)C(=O)O
Chemical ID:
5277828
Name [?]:
2-(2-ethylhexylcarbamoylamino)-3-methyl-butanoic acid
SMILES [?]:
CCCCC(CC)CNC(=O)NC(C(C)C)C(=O)O
InChi [?]:
InChI=1/C14H28N2O3/c1-5-7-8-11(6-2)9-15-14(19)16-12(10(3)4)13(17)18/h10-12H,5-9H2,1-4H3,(H,17,18)(H2,15,16,19)
InChi Info:
AuxInfo=1/1/N:1,7,15,16,2,6,3,4,8,14,5,13,17,10,9,12,18,19,11/E:(3,4)(17,18)/rA:19cCCCCCCCCNCONCCCCCOO/rB:s1;s2;s3;s4;s5;s6;s5;s8;s9;d10;s10;s12;s13;s14;s14;s13;d17;s17;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H28N2O3
All Atoms:19
Heavy Atoms:19
Chiral Atoms:2
ZAP Information [?]
Total:10.4081
Area:515.443
Solvation:-2.47799
Coulombic:-63.7762
Bond Count [?]
All:18
Single:16
Double:2
Rotors:11
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:272.384
H-Bond Donors:3
H-Bond Acceptors:5
XLogP:3.27
LogP (Chemaxon):2.94

Name Annotations

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Descriptor Annotations

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