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Chemical ID: 5283025
Chemical ID:
5283025
Name [?]:
3-methyl-2-(sec-butylcarbamoylamino)butanoic acid
SMILES [?]:
CCC(C)NC(=O)NC(C(C)C)C(=O)O
InChi [?]:
InChI=1/C10H20N2O3/c1-5-7(4)11-10(15)12-8(6(2)3)9(13)14/h6-8H,5H2,1-4H3,(H,13,14)(H2,11,12,15)
InChi Info:
AuxInfo=1/1/N:1,11,12,4,2,10,3,9,13,6,5,8,14,15,7/E:(2,3)(13,14)/rA:15cCCCCNCONCCCCCOO/rB:s1;s2;s3;s3;s5;d6;s6;s8;s9;s10;s10;s9;d13;s13;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H20N2O3 |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 8.13197 |
Area: | 404.459 |
Solvation: | -1.97949 |
Coulombic: | -62.8526 |
Bond Count [?]
All: | 14 |
Single: | 12 |
Double: | 2 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 216.277 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 5 |
XLogP: | 1.15 |
LogP (Chemaxon): | 1.36 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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