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Chemical ID: 5103422
Chemical ID:
5103422
Name [?]:
2-amino-3-(5-methyl-2-pyridyl)-propanoic acid
SMILES [?]:
Cc1ccc(nc1)CC(C(=O)O)N
InChi [?]:
InChI=1/C9H12N2O2/c1-6-2-3-7(11-5-6)4-8(10)9(12)13/h2-3,5,8H,4,10H2,1H3,(H,12,13)
InChi Info:
AuxInfo=1/1/N:1,3,4,8,7,2,5,9,10,13,6,11,12/E:(12,13)/rA:13cCCCCCNCCCCOON/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;d10;s10;s9;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H12N2O2 |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 6.20657 |
Area: | 353.892 |
Solvation: | -2.64073 |
Coulombic: | -42.6607 |
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: | -2.32 |
LogP (Chemaxon): | -1.91 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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