2-[[5-(2-cyclopropylethynyl)-3-hydroxypyridine-2-carbonyl]amino]acetic acid

C13H12N2O4 — CID 129027310

IUPAC2-[[5-(2-cyclopropylethynyl)-3-hydroxypyridine-2-carbonyl]amino]acetic acid
SMILESO=C(O)CNC(=O)c1ncc(C#CC2CC2)cc1O
InChIInChI=1S/C13H12N2O4/c16-10-5-9(4-3-8-1-2-8)6-14-12(10)13(19)15-7-11(17)18/h5-6,8,16H,1-2,7H2,(H,15,19)(H,17,18)
InChIKeyAEYLHGBTQFPILZ-UHFFFAOYSA-N
MW260.25 g/mol
LogP0.36
Rot. Bonds3

About 2-[[5-(2-cyclopropylethynyl)-3-hydroxypyridine-2-carbonyl]amino]acetic acid

2-[[5-(2-cyclopropylethynyl)-3-hydroxypyridine-2-carbonyl]amino]acetic acid (PubChem CID 129027310) has the molecular formula C13H12N2O4 and a molecular weight of 260.25 g/mol. Its IUPAC name is 2-[[5-(2-cyclopropylethynyl)-3-hydroxypyridine-2-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[5-(2-cyclopropylethynyl)-3-hydroxypyridine-2-carbonyl]amino]acetic acid
PubChem CID129027310
Molecular FormulaC13H12N2O4
Molecular Weight260.25 g/mol
Exact Mass260.08
IUPAC Name2-[[5-(2-cyclopropylethynyl)-3-hydroxypyridine-2-carbonyl]amino]acetic acid
SMILESO=C(O)CNC(=O)c1ncc(C#CC2CC2)cc1O
InChIInChI=1S/C13H12N2O4/c16-10-5-9(4-3-8-1-2-8)6-14-12(10)13(19)15-7-11(17)18/h5-6,8,16H,1-2,7H2,(H,15,19)(H,17,18)
InChIKeyAEYLHGBTQFPILZ-UHFFFAOYSA-N
XLogP0.36
TPSA99.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 50.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-[[5-(2-cyclopropylethynyl)-3-hydroxypyridine-2-carbonyl]amino]acetic acid?
The IUPAC name of 2-[[5-(2-cyclopropylethynyl)-3-hydroxypyridine-2-carbonyl]amino]acetic acid (CID 129027310) is 2-[[5-(2-cyclopropylethynyl)-3-hydroxypyridine-2-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[[5-(2-cyclopropylethynyl)-3-hydroxypyridine-2-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[[5-(2-cyclopropylethynyl)-3-hydroxypyridine-2-carbonyl]amino]acetic acid is O=C(O)CNC(=O)c1ncc(C#CC2CC2)cc1O.
What is the InChIKey of 2-[[5-(2-cyclopropylethynyl)-3-hydroxypyridine-2-carbonyl]amino]acetic acid?
The InChIKey is AEYLHGBTQFPILZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O4/c16-10-5-9(4-3-8-1-2-8)6-14-12(10)13(19)15-7-11(17)18/h5-6,8,16H,1-2,7H2,(H,15,19)(H,17,18).
What are the key properties of 2-[[5-(2-cyclopropylethynyl)-3-hydroxypyridine-2-carbonyl]amino]acetic acid?
2-[[5-(2-cyclopropylethynyl)-3-hydroxypyridine-2-carbonyl]amino]acetic acid has a molecular weight of 260.25 g/mol, XLogP of 0.36, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(2-cyclopropylethynyl)-3-hydroxypyridine-2-carbonyl]amino]acetic acid is sourced from PubChem (CID 129027310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).