3-(6-amino-3-pyridinyl)propanoic acid

C8H10N2O2 — CID 18404603

IUPAC3-(6-amino-3-pyridinyl)propanoic acid
SMILESNc1ccc(CCC(=O)O)cn1
InChIInChI=1S/C8H10N2O2/c9-7-3-1-6(5-10-7)2-4-8(11)12/h1,3,5H,2,4H2,(H2,9,10)(H,11,12)
InChIKeyDNYMWQXLIYJTIO-UHFFFAOYSA-N
MW166.18 g/mol
LogP0.68
Rot. Bonds3

About 3-(6-amino-3-pyridinyl)propanoic acid

3-(6-amino-3-pyridinyl)propanoic acid (PubChem CID 18404603) has the molecular formula C8H10N2O2 and a molecular weight of 166.18 g/mol. Its IUPAC name is 3-(6-amino-3-pyridinyl)propanoic acid.

Molecular Properties

Compound Name3-(6-amino-3-pyridinyl)propanoic acid
PubChem CID18404603
Molecular FormulaC8H10N2O2
Molecular Weight166.18 g/mol
Exact Mass166.07
IUPAC Name3-(6-amino-3-pyridinyl)propanoic acid
SMILESNc1ccc(CCC(=O)O)cn1
InChIInChI=1S/C8H10N2O2/c9-7-3-1-6(5-10-7)2-4-8(11)12/h1,3,5H,2,4H2,(H2,9,10)(H,11,12)
InChIKeyDNYMWQXLIYJTIO-UHFFFAOYSA-N
XLogP0.68
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 ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(6-amino-3-pyridinyl)propanoic acid?
The IUPAC name of 3-(6-amino-3-pyridinyl)propanoic acid (CID 18404603) is 3-(6-amino-3-pyridinyl)propanoic acid.
What is the SMILES notation for 3-(6-amino-3-pyridinyl)propanoic acid?
The canonical SMILES for 3-(6-amino-3-pyridinyl)propanoic acid is Nc1ccc(CCC(=O)O)cn1.
What is the InChIKey of 3-(6-amino-3-pyridinyl)propanoic acid?
The InChIKey is DNYMWQXLIYJTIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2/c9-7-3-1-6(5-10-7)2-4-8(11)12/h1,3,5H,2,4H2,(H2,9,10)(H,11,12).
What are the key properties of 3-(6-amino-3-pyridinyl)propanoic acid?
3-(6-amino-3-pyridinyl)propanoic acid has a molecular weight of 166.18 g/mol, XLogP of 0.68, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-amino-3-pyridinyl)propanoic acid is sourced from PubChem (CID 18404603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).