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Chemical ID: 4269645
Chemical ID:
4269645
Name [?]:
10-acetamido-3-methyl-decanoic acid
SMILES [?]:
CC(CCCCCCCNC(=O)C)CC(=O)O
InChi [?]:
InChI=1/C13H25NO3/c1-11(10-13(16)17)8-6-4-3-5-7-9-14-12(2)15/h11H,3-10H2,1-2H3,(H,14,15)(H,16,17)
InChi Info:
AuxInfo=1/1/N:1,13,6,5,7,4,8,3,9,14,2,11,15,10,12,16,17/E:(16,17)/rA:17cCCCCCCCCCNCOCCCOO/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s10;d11;s11;s2;s14;d15;s15;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H25NO3 |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.52769 |
Area: | 499.349 |
Solvation: | -2.95604 |
Coulombic: | -46.7305 |
Bond Count [?]
All: | 16 |
Single: | 14 |
Double: | 2 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 243.343 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 3.11 |
LogP (Chemaxon): | 1.9 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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