2-[(3-hydroxy-2,2-dimethylcyclobutyl)carbamoyl]pyridine-3-carboxylic acid

C13H16N2O4 — CID 114628887

IUPAC2-[(3-hydroxy-2,2-dimethylcyclobutyl)carbamoyl]pyridine-3-carboxylic acid
SMILESCC1(C)C(O)CC1NC(=O)c1ncccc1C(=O)O
InChIInChI=1S/C13H16N2O4/c1-13(2)8(6-9(13)16)15-11(17)10-7(12(18)19)4-3-5-14-10/h3-5,8-9,16H,6H2,1-2H3,(H,15,17)(H,18,19)
InChIKeyFBUWMABBMZRHEN-UHFFFAOYSA-N
MW264.28 g/mol
LogP0.67
Rot. Bonds3

About 2-[(3-hydroxy-2,2-dimethylcyclobutyl)carbamoyl]pyridine-3-carboxylic acid

2-[(3-hydroxy-2,2-dimethylcyclobutyl)carbamoyl]pyridine-3-carboxylic acid (PubChem CID 114628887) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is 2-[(3-hydroxy-2,2-dimethylcyclobutyl)carbamoyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[(3-hydroxy-2,2-dimethylcyclobutyl)carbamoyl]pyridine-3-carboxylic acid
PubChem CID114628887
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Name2-[(3-hydroxy-2,2-dimethylcyclobutyl)carbamoyl]pyridine-3-carboxylic acid
SMILESCC1(C)C(O)CC1NC(=O)c1ncccc1C(=O)O
InChIInChI=1S/C13H16N2O4/c1-13(2)8(6-9(13)16)15-11(17)10-7(12(18)19)4-3-5-14-10/h3-5,8-9,16H,6H2,1-2H3,(H,15,17)(H,18,19)
InChIKeyFBUWMABBMZRHEN-UHFFFAOYSA-N
XLogP0.67
TPSA99.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 50.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-hydroxy-2,2-dimethylcyclobutyl)carbamoyl]pyridine-3-carboxylic acid?
The IUPAC name of 2-[(3-hydroxy-2,2-dimethylcyclobutyl)carbamoyl]pyridine-3-carboxylic acid (CID 114628887) is 2-[(3-hydroxy-2,2-dimethylcyclobutyl)carbamoyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[(3-hydroxy-2,2-dimethylcyclobutyl)carbamoyl]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[(3-hydroxy-2,2-dimethylcyclobutyl)carbamoyl]pyridine-3-carboxylic acid is CC1(C)C(O)CC1NC(=O)c1ncccc1C(=O)O.
What is the InChIKey of 2-[(3-hydroxy-2,2-dimethylcyclobutyl)carbamoyl]pyridine-3-carboxylic acid?
The InChIKey is FBUWMABBMZRHEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4/c1-13(2)8(6-9(13)16)15-11(17)10-7(12(18)19)4-3-5-14-10/h3-5,8-9,16H,6H2,1-2H3,(H,15,17)(H,18,19).
What are the key properties of 2-[(3-hydroxy-2,2-dimethylcyclobutyl)carbamoyl]pyridine-3-carboxylic acid?
2-[(3-hydroxy-2,2-dimethylcyclobutyl)carbamoyl]pyridine-3-carboxylic acid has a molecular weight of 264.28 g/mol, XLogP of 0.67, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-hydroxy-2,2-dimethylcyclobutyl)carbamoyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 114628887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).