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Chemical ID: 5103426
Chemical ID:
5103426
Name [?]:
2-amino-3-(5-ethyl-2-pyridyl)-propanoic acid
SMILES [?]:
CCc1ccc(nc1)CC(C(=O)O)N
InChi [?]:
InChI=1/C10H14N2O2/c1-2-7-3-4-8(12-6-7)5-9(11)10(13)14/h3-4,6,9H,2,5,11H2,1H3,(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,2,4,5,9,8,3,6,10,11,14,7,12,13/E:(13,14)/rA:14cCCCCCCNCCCCOON/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;d11;s11;s10;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H14N2O2 |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 6.96721 |
Area: | 378.008 |
Solvation: | -2.48299 |
Coulombic: | -43.5235 |
Bond Count [?]
All: | 14 |
Single: | 10 |
Double: | 4 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 194.23 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 3 |
XLogP: | -1.85 |
LogP (Chemaxon): | -1.52 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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