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Chemical ID: 4558654
Chemical ID:
4558654
Name [?]:
3-amino-3-(3-pyridyl)propanoic acid
SMILES [?]:
c1cc(cnc1)C(CC(=O)O)N
InChi [?]:
InChI=1/C8H10N2O2/c9-7(4-8(11)12)6-2-1-3-10-5-6/h1-3,5,7H,4,9H2,(H,11,12)
InChi Info:
AuxInfo=1/1/N:1,2,6,8,4,3,7,9,12,5,10,11/E:(11,12)/rA:12cCCCCNCCCCOON/rB:s1;d2;s3;d4;d1s5;s3;s7;s8;d9;s9;s7;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C8H10N2O2 |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 5.45309 |
Area: | 332.07 |
Solvation: | -2.84866 |
Coulombic: | -41.7757 |
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: | -0.46 |
LogP (Chemaxon): | -2.65 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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