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Chemical ID: 6551132
Chemical ID:
6551132
Name [?]:
2-[2-(3-methoxyphenoxy)acetyl]amino-3-methyl-butanoic acid
SMILES [?]:
CC(C)C(C(=O)O)NC(=O)COc1cccc(c1)OC
InChi [?]:
InChI=1/C14H19NO5/c1-9(2)13(14(17)18)15-12(16)8-20-11-6-4-5-10(7-11)19-3/h4-7,9,13H,8H2,1-3H3,(H,15,16)(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,3,20,15,16,14,18,11,2,17,13,9,4,5,8,10,6,7,19,12/E:(1,2)(17,18)/rA:20cCCCCCOONCOCOCCCCCCOC/rB:s1;s2;s2;s4;d5;s5;s4;s8;d9;s9;s11;s12;s13;d14;s15;d16;d13s17;s17;s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H19NO5 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 6.02671 |
Area: | 489.3 |
Solvation: | -6.20579 |
Coulombic: | -62.1001 |
Bond Count [?]
All: | 20 |
Single: | 15 |
Double: | 5 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 281.304 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 1.59 |
LogP (Chemaxon): | 1.42 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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