Chemical ID: 4558654

c1cc(cnc1)C(CC(=O)O)N
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

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Descriptor Annotations

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