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Chemical ID: 5103414
Chemical ID:
5103414
Name [?]:
2-amino-3-(2-pyridyl)propanoic acid
SMILES [?]:
c1ccnc(c1)CC(C(=O)O)N
InChi [?]:
InChI=1/C8H10N2O2/c9-7(8(11)12)5-6-3-1-2-4-10-6/h1-4,7H,5,9H2,(H,11,12)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,7,5,8,9,12,4,10,11/E:(11,12)/rA:12cCCCNCCCCCOON/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;d9;s9;s8;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C8H10N2O2 |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 5.60295 |
Area: | 330.921 |
Solvation: | -2.67007 |
Coulombic: | -42.7246 |
Bond Count [?]
All: | 12 |
Single: | 8 |
Double: | 4 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 166.177 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 3 |
XLogP: | -2.54 |
LogP (Chemaxon): | -2.38 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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