3-amino-3-pyridin-4-ylpropanoic acid

C8H10N2O2 — CID 22062887

IUPAC3-amino-3-pyridin-4-ylpropanoic acid
SMILESNC(CC(=O)O)c1ccncc1
InChIInChI=1S/C8H10N2O2/c9-7(5-8(11)12)6-1-3-10-4-2-6/h1-4,7H,5,9H2,(H,11,12)
InChIKeyHELGKMIKUOPFTO-UHFFFAOYSA-N
MW166.18 g/mol
LogP0.56
Rot. Bonds3

About 3-amino-3-pyridin-4-ylpropanoic acid

3-amino-3-pyridin-4-ylpropanoic acid (PubChem CID 22062887) has the molecular formula C8H10N2O2 and a molecular weight of 166.18 g/mol. Its IUPAC name is 3-amino-3-pyridin-4-ylpropanoic acid.

Molecular Properties

Compound Name3-amino-3-pyridin-4-ylpropanoic acid
PubChem CID22062887
Molecular FormulaC8H10N2O2
Molecular Weight166.18 g/mol
Exact Mass166.07
IUPAC Name3-amino-3-pyridin-4-ylpropanoic acid
SMILESNC(CC(=O)O)c1ccncc1
InChIInChI=1S/C8H10N2O2/c9-7(5-8(11)12)6-1-3-10-4-2-6/h1-4,7H,5,9H2,(H,11,12)
InChIKeyHELGKMIKUOPFTO-UHFFFAOYSA-N
XLogP0.56
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-3-pyridin-4-ylpropanoic acid?
The IUPAC name of 3-amino-3-pyridin-4-ylpropanoic acid (CID 22062887) is 3-amino-3-pyridin-4-ylpropanoic acid.
What is the SMILES notation for 3-amino-3-pyridin-4-ylpropanoic acid?
The canonical SMILES for 3-amino-3-pyridin-4-ylpropanoic acid is NC(CC(=O)O)c1ccncc1.
What is the InChIKey of 3-amino-3-pyridin-4-ylpropanoic acid?
The InChIKey is HELGKMIKUOPFTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2/c9-7(5-8(11)12)6-1-3-10-4-2-6/h1-4,7H,5,9H2,(H,11,12).
What are the key properties of 3-amino-3-pyridin-4-ylpropanoic acid?
3-amino-3-pyridin-4-ylpropanoic acid has a molecular weight of 166.18 g/mol, XLogP of 0.56, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-pyridin-4-ylpropanoic acid is sourced from PubChem (CID 22062887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).