Chemical ID: 5103414

c1ccnc(c1)CC(C(=O)O)N
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

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Descriptor Annotations

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