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Chemical ID: 5275323
Chemical ID:
5275323
Name [?]:
3-methyl-2-(1-phenylethylcarbamoylamino)pentanoic acid
SMILES [?]:
CCC(C)C(C(=O)O)NC(=O)NC(C)c1ccccc1
InChi [?]:
InChI=1/C15H22N2O3/c1-4-10(2)13(14(18)19)17-15(20)16-11(3)12-8-6-5-7-9-12/h5-11,13H,4H2,1-3H3,(H,18,19)(H2,16,17,20)
InChi Info:
AuxInfo=1/1/N:1,4,14,2,18,17,19,16,20,3,13,15,5,6,10,12,9,7,8,11/E:(6,7)(8,9)(18,19)/rA:20cCCCCCCOONCONCCCCCCCC/rB:s1;s2;s3;s3;s5;d6;s6;s5;s9;d10;s10;s12;s13;s13;s15;d16;s17;d18;d15s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H22N2O3 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 3 |
ZAP Information [?]
Total: | 9.78147 |
Area: | 498.882 |
Solvation: | -2.69059 |
Coulombic: | -64.1526 |
Bond Count [?]
All: | 20 |
Single: | 15 |
Double: | 5 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 278.347 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 5 |
XLogP: | 2.72 |
LogP (Chemaxon): | 2.73 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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