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Chemical ID: 4900318
Chemical ID:
4900318
Name [?]:
2-(isopropylcarbamoylamino)-4-methyl-pentanoic acid
SMILES [?]:
CC(C)CC(C(=O)O)NC(=O)NC(C)C
InChi [?]:
InChI=1/C10H20N2O3/c1-6(2)5-8(9(13)14)12-10(15)11-7(3)4/h6-8H,5H2,1-4H3,(H,13,14)(H2,11,12,15)
InChi Info:
AuxInfo=1/1/N:1,3,14,15,4,2,13,5,6,10,12,9,7,8,11/E:(1,2)(3,4)(13,14)/rA:15cCCCCCCOONCONCCC/rB:s1;s2;s2;s4;s5;d6;s6;s5;s9;d10;s10;s12;s13;s13;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H20N2O3 |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.96674 |
Area: | 419.909 |
Solvation: | -2.53099 |
Coulombic: | -62.0871 |
Bond Count [?]
All: | 14 |
Single: | 12 |
Double: | 2 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 216.277 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 5 |
XLogP: | 1.58 |
LogP (Chemaxon): | 1.22 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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