Chemical ID: 4959424

CC(CCC(C(=O)O)NC(=O)C)CC(C)(C)C
Chemical ID:
4959424
Name [?]:
2-acetamido-5,7,7-trimethyl-octanoic acid
SMILES [?]:
CC(CCC(C(=O)O)NC(=O)C)CC(C)(C)C
InChi [?]:
InChI=1/C13H25NO3/c1-9(8-13(3,4)5)6-7-11(12(16)17)14-10(2)15/h9,11H,6-8H2,1-5H3,(H,14,15)(H,16,17)
InChi Info:
AuxInfo=1/1/N:1,12,15,16,17,3,4,13,2,10,5,6,14,9,11,7,8/E:(3,4,5)(16,17)/rA:17cCCCCCCOONCOCCCCCC/rB:s1;s2;s3;s4;s5;d6;s6;s5;s9;d10;s10;s2;s13;s14;s14;s14;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H25NO3
All Atoms:17
Heavy Atoms:17
Chiral Atoms:2
ZAP Information [?]
Total:8.78749
Area:462.289
Solvation:-2.76973
Coulombic:-48.1152
Bond Count [?]
All:16
Single:14
Double:2
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:243.343
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:3.87
LogP (Chemaxon):2.44

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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