2-[[3-hydroxy-5-(3-phenoxyprop-1-ynyl)pyridine-2-carbonyl]amino]acetic acid

C17H14N2O5 — CID 129027148

IUPAC2-[[3-hydroxy-5-(3-phenoxyprop-1-ynyl)pyridine-2-carbonyl]amino]acetic acid
SMILESO=C(O)CNC(=O)c1ncc(C#CCOc2ccccc2)cc1O
InChIInChI=1S/C17H14N2O5/c20-14-9-12(5-4-8-24-13-6-2-1-3-7-13)10-18-16(14)17(23)19-11-15(21)22/h1-3,6-7,9-10,20H,8,11H2,(H,19,23)(H,21,22)
InChIKeyXRDIZJAXODSICN-UHFFFAOYSA-N
MW326.31 g/mol
LogP1.03
Rot. Bonds5

About 2-[[3-hydroxy-5-(3-phenoxyprop-1-ynyl)pyridine-2-carbonyl]amino]acetic acid

2-[[3-hydroxy-5-(3-phenoxyprop-1-ynyl)pyridine-2-carbonyl]amino]acetic acid (PubChem CID 129027148) has the molecular formula C17H14N2O5 and a molecular weight of 326.31 g/mol. Its IUPAC name is 2-[[3-hydroxy-5-(3-phenoxyprop-1-ynyl)pyridine-2-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[3-hydroxy-5-(3-phenoxyprop-1-ynyl)pyridine-2-carbonyl]amino]acetic acid
PubChem CID129027148
Molecular FormulaC17H14N2O5
Molecular Weight326.31 g/mol
Exact Mass326.09
IUPAC Name2-[[3-hydroxy-5-(3-phenoxyprop-1-ynyl)pyridine-2-carbonyl]amino]acetic acid
SMILESO=C(O)CNC(=O)c1ncc(C#CCOc2ccccc2)cc1O
InChIInChI=1S/C17H14N2O5/c20-14-9-12(5-4-8-24-13-6-2-1-3-7-13)10-18-16(14)17(23)19-11-15(21)22/h1-3,6-7,9-10,20H,8,11H2,(H,19,23)(H,21,22)
InChIKeyXRDIZJAXODSICN-UHFFFAOYSA-N
XLogP1.03
TPSA108.75 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.31
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-hydroxy-5-(3-phenoxyprop-1-ynyl)pyridine-2-carbonyl]amino]acetic acid?
The IUPAC name of 2-[[3-hydroxy-5-(3-phenoxyprop-1-ynyl)pyridine-2-carbonyl]amino]acetic acid (CID 129027148) is 2-[[3-hydroxy-5-(3-phenoxyprop-1-ynyl)pyridine-2-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[[3-hydroxy-5-(3-phenoxyprop-1-ynyl)pyridine-2-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[[3-hydroxy-5-(3-phenoxyprop-1-ynyl)pyridine-2-carbonyl]amino]acetic acid is O=C(O)CNC(=O)c1ncc(C#CCOc2ccccc2)cc1O.
What is the InChIKey of 2-[[3-hydroxy-5-(3-phenoxyprop-1-ynyl)pyridine-2-carbonyl]amino]acetic acid?
The InChIKey is XRDIZJAXODSICN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O5/c20-14-9-12(5-4-8-24-13-6-2-1-3-7-13)10-18-16(14)17(23)19-11-15(21)22/h1-3,6-7,9-10,20H,8,11H2,(H,19,23)(H,21,22).
What are the key properties of 2-[[3-hydroxy-5-(3-phenoxyprop-1-ynyl)pyridine-2-carbonyl]amino]acetic acid?
2-[[3-hydroxy-5-(3-phenoxyprop-1-ynyl)pyridine-2-carbonyl]amino]acetic acid has a molecular weight of 326.31 g/mol, XLogP of 1.03, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-hydroxy-5-(3-phenoxyprop-1-ynyl)pyridine-2-carbonyl]amino]acetic acid is sourced from PubChem (CID 129027148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).