1-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]cyclobutane-1-carboxylic acid

C11H12N2O5 — CID 81165162

IUPAC1-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]cyclobutane-1-carboxylic acid
SMILESO=C(NC1(C(=O)O)CCC1)c1cc(O)[nH]c(=O)c1
InChIInChI=1S/C11H12N2O5/c14-7-4-6(5-8(15)12-7)9(16)13-11(10(17)18)2-1-3-11/h4-5H,1-3H2,(H,13,16)(H,17,18)(H2,12,14,15)
InChIKeyHFHSICZUDYVUIG-UHFFFAOYSA-N
MW252.23 g/mol
LogP-0.18
Rot. Bonds3

About 1-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]cyclobutane-1-carboxylic acid

1-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]cyclobutane-1-carboxylic acid (PubChem CID 81165162) has the molecular formula C11H12N2O5 and a molecular weight of 252.23 g/mol. Its IUPAC name is 1-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]cyclobutane-1-carboxylic acid
PubChem CID81165162
Molecular FormulaC11H12N2O5
Molecular Weight252.23 g/mol
Exact Mass252.07
IUPAC Name1-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]cyclobutane-1-carboxylic acid
SMILESO=C(NC1(C(=O)O)CCC1)c1cc(O)[nH]c(=O)c1
InChIInChI=1S/C11H12N2O5/c14-7-4-6(5-8(15)12-7)9(16)13-11(10(17)18)2-1-3-11/h4-5H,1-3H2,(H,13,16)(H,17,18)(H2,12,14,15)
InChIKeyHFHSICZUDYVUIG-UHFFFAOYSA-N
XLogP-0.18
TPSA119.49 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.23
LogP ≤ 5-0.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]cyclobutane-1-carboxylic acid (CID 81165162) is 1-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]cyclobutane-1-carboxylic acid is O=C(NC1(C(=O)O)CCC1)c1cc(O)[nH]c(=O)c1.
What is the InChIKey of 1-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]cyclobutane-1-carboxylic acid?
The InChIKey is HFHSICZUDYVUIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O5/c14-7-4-6(5-8(15)12-7)9(16)13-11(10(17)18)2-1-3-11/h4-5H,1-3H2,(H,13,16)(H,17,18)(H2,12,14,15).
What are the key properties of 1-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]cyclobutane-1-carboxylic acid?
1-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]cyclobutane-1-carboxylic acid has a molecular weight of 252.23 g/mol, XLogP of -0.18, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 81165162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).