Chemical ID: 5103418

Cc1cccc(n1)CC(C(=O)O)N
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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Descriptor Annotations

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