Chemical ID: 5103422

Cc1ccc(nc1)CC(C(=O)O)N
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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