Chemical ID: 5103426

CCc1ccc(nc1)CC(C(=O)O)N
Chemical ID:
5103426
Name [?]:
2-amino-3-(5-ethyl-2-pyridyl)-propanoic acid
SMILES [?]:
CCc1ccc(nc1)CC(C(=O)O)N
InChi [?]:
InChI=1/C10H14N2O2/c1-2-7-3-4-8(12-6-7)5-9(11)10(13)14/h3-4,6,9H,2,5,11H2,1H3,(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,2,4,5,9,8,3,6,10,11,14,7,12,13/E:(13,14)/rA:14cCCCCCCNCCCCOON/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;d11;s11;s10;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H14N2O2
All Atoms:14
Heavy Atoms:14
Chiral Atoms:1
ZAP Information [?]
Total:6.96721
Area:378.008
Solvation:-2.48299
Coulombic:-43.5235
Bond Count [?]
All:14
Single:10
Double:4
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:194.23
H-Bond Donors:3
H-Bond Acceptors:3
XLogP:-1.85
LogP (Chemaxon):-1.52

Name Annotations

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Descriptor Annotations

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