2-amino-3-hydroxy-3-pyridin-3-ylpropanoic acid

C8H10N2O3 — CID 4225900

IUPAC2-amino-3-hydroxy-3-pyridin-3-ylpropanoic acid
SMILESNC(C(=O)O)C(O)c1cccnc1
InChIInChI=1S/C8H10N2O3/c9-6(8(12)13)7(11)5-2-1-3-10-4-5/h1-4,6-7,11H,9H2,(H,12,13)
InChIKeyFHHXXEYZWSACRS-UHFFFAOYSA-N
MW182.18 g/mol
LogP-0.47
Rot. Bonds3

About 2-amino-3-hydroxy-3-pyridin-3-ylpropanoic acid

2-amino-3-hydroxy-3-pyridin-3-ylpropanoic acid (PubChem CID 4225900) has the molecular formula C8H10N2O3 and a molecular weight of 182.18 g/mol. Its IUPAC name is 2-amino-3-hydroxy-3-pyridin-3-ylpropanoic acid.

Molecular Properties

Compound Name2-amino-3-hydroxy-3-pyridin-3-ylpropanoic acid
PubChem CID4225900
Molecular FormulaC8H10N2O3
Molecular Weight182.18 g/mol
Exact Mass182.07
IUPAC Name2-amino-3-hydroxy-3-pyridin-3-ylpropanoic acid
SMILESNC(C(=O)O)C(O)c1cccnc1
InChIInChI=1S/C8H10N2O3/c9-6(8(12)13)7(11)5-2-1-3-10-4-5/h1-4,6-7,11H,9H2,(H,12,13)
InChIKeyFHHXXEYZWSACRS-UHFFFAOYSA-N
XLogP-0.47
TPSA96.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 5-0.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-hydroxy-3-pyridin-3-ylpropanoic acid?
The IUPAC name of 2-amino-3-hydroxy-3-pyridin-3-ylpropanoic acid (CID 4225900) is 2-amino-3-hydroxy-3-pyridin-3-ylpropanoic acid.
What is the SMILES notation for 2-amino-3-hydroxy-3-pyridin-3-ylpropanoic acid?
The canonical SMILES for 2-amino-3-hydroxy-3-pyridin-3-ylpropanoic acid is NC(C(=O)O)C(O)c1cccnc1.
What is the InChIKey of 2-amino-3-hydroxy-3-pyridin-3-ylpropanoic acid?
The InChIKey is FHHXXEYZWSACRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3/c9-6(8(12)13)7(11)5-2-1-3-10-4-5/h1-4,6-7,11H,9H2,(H,12,13).
What are the key properties of 2-amino-3-hydroxy-3-pyridin-3-ylpropanoic acid?
2-amino-3-hydroxy-3-pyridin-3-ylpropanoic acid has a molecular weight of 182.18 g/mol, XLogP of -0.47, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-hydroxy-3-pyridin-3-ylpropanoic acid is sourced from PubChem (CID 4225900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).