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Chemical ID: 5103418
Chemical ID:
5103418
Name [?]:
2-amino-3-(6-methyl-2-pyridyl)-propanoic acid
SMILES [?]:
Cc1cccc(n1)CC(C(=O)O)N
InChi [?]:
InChI=1/C9H12N2O2/c1-6-3-2-4-7(11-6)5-8(10)9(12)13/h2-4,8H,5,10H2,1H3,(H,12,13)
InChi Info:
AuxInfo=1/1/N:1,4,3,5,8,2,6,9,10,13,7,11,12/E:(12,13)/rA:13cCCCCCCNCCCOON/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;d10;s10;s9;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H12N2O2 |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 6.17296 |
Area: | 351.815 |
Solvation: | -2.62242 |
Coulombic: | -42.5065 |
Bond Count [?]
All: | 13 |
Single: | 9 |
Double: | 4 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 180.204 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 3 |
XLogP: | -2.23 |
LogP (Chemaxon): | -2.22 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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