2-oxo-1-[3-(trideuteriomethoxy)cyclobutyl]pyridine-3-carboxylic acid

C11H13NO4 — CID 175758604

IUPAC2-oxo-1-[3-(trideuteriomethoxy)cyclobutyl]pyridine-3-carboxylic acid
SMILES[2H]C([2H])([2H])OC1CC(n2cccc(C(=O)O)c2=O)C1
InChIInChI=1S/C11H13NO4/c1-16-8-5-7(6-8)12-4-2-3-9(10(12)13)11(14)15/h2-4,7-8H,5-6H2,1H3,(H,14,15)/i1D3
InChIKeyNICQEAYZTDNWHV-FIBGUPNXSA-N
MW226.25 g/mol
LogP0.90
Rot. Bonds4

About 2-oxo-1-[3-(trideuteriomethoxy)cyclobutyl]pyridine-3-carboxylic acid

2-oxo-1-[3-(trideuteriomethoxy)cyclobutyl]pyridine-3-carboxylic acid (PubChem CID 175758604) has the molecular formula C11H13NO4 and a molecular weight of 226.25 g/mol. Its IUPAC name is 2-oxo-1-[3-(trideuteriomethoxy)cyclobutyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-oxo-1-[3-(trideuteriomethoxy)cyclobutyl]pyridine-3-carboxylic acid
PubChem CID175758604
Molecular FormulaC11H13NO4
Molecular Weight226.25 g/mol
Exact Mass226.10
IUPAC Name2-oxo-1-[3-(trideuteriomethoxy)cyclobutyl]pyridine-3-carboxylic acid
SMILES[2H]C([2H])([2H])OC1CC(n2cccc(C(=O)O)c2=O)C1
InChIInChI=1S/C11H13NO4/c1-16-8-5-7(6-8)12-4-2-3-9(10(12)13)11(14)15/h2-4,7-8H,5-6H2,1H3,(H,14,15)/i1D3
InChIKeyNICQEAYZTDNWHV-FIBGUPNXSA-N
XLogP0.90
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.25
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclohexyl-2-oxopyridine-3-carboxylic acid;hydrochloride
CID 70588854
methyl 1-(3-methoxycyclohexyl)-2-oxopyridine-3-carboxylate
CID 137449925
methyl 1-cyclobutyl-2-oxopyridine-3-carboxylate
CID 139390457
1-methoxy-2-oxopyridine-3-carboxylic acid
CID 90711575
methyl 1-(4-hydroxycyclohexyl)-2-oxopyridine-3-carboxylate
CID 137450552
methyl 1-[(1S,3S)-3-methylcyclohexyl]-2-oxopyridine-3-carboxylate
CID 158924385
methyl 1-[(1S,3S)-3-hydroxycyclohexyl]-2-oxopyridine-3-carboxylate
CID 139373575
1-[(3R)-1-(2-fluoroethyl)piperidin-3-yl]-2-oxopyridine-3-carboxylic acid
CID 137457786
methyl 2-oxo-1-[(3S)-oxolan-3-yl]pyridine-3-carboxylate
CID 146327520
1-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-oxopyridine-3-carboxylic acid
CID 66610575
2-(4-cyclopropyl-3-oxopyrazin-2-yl)oxybenzoic acid
CID 62929037
methyl 1-[(1R,2R)-2-methoxycyclopentyl]-2-oxopyridine-3-carboxylate
CID 137457337

Frequently Asked Questions

What is the IUPAC name of 2-oxo-1-[3-(trideuteriomethoxy)cyclobutyl]pyridine-3-carboxylic acid?
The IUPAC name of 2-oxo-1-[3-(trideuteriomethoxy)cyclobutyl]pyridine-3-carboxylic acid (CID 175758604) is 2-oxo-1-[3-(trideuteriomethoxy)cyclobutyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-oxo-1-[3-(trideuteriomethoxy)cyclobutyl]pyridine-3-carboxylic acid?
The canonical SMILES for 2-oxo-1-[3-(trideuteriomethoxy)cyclobutyl]pyridine-3-carboxylic acid is [2H]C([2H])([2H])OC1CC(n2cccc(C(=O)O)c2=O)C1.
What is the InChIKey of 2-oxo-1-[3-(trideuteriomethoxy)cyclobutyl]pyridine-3-carboxylic acid?
The InChIKey is NICQEAYZTDNWHV-FIBGUPNXSA-N. The full InChI is InChI=1S/C11H13NO4/c1-16-8-5-7(6-8)12-4-2-3-9(10(12)13)11(14)15/h2-4,7-8H,5-6H2,1H3,(H,14,15)/i1D3.
What are the key properties of 2-oxo-1-[3-(trideuteriomethoxy)cyclobutyl]pyridine-3-carboxylic acid?
2-oxo-1-[3-(trideuteriomethoxy)cyclobutyl]pyridine-3-carboxylic acid has a molecular weight of 226.25 g/mol, XLogP of 0.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-1-[3-(trideuteriomethoxy)cyclobutyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 175758604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).