2-(5-methyl-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)pyridine-3-carboxylic acid

C14H14N2O4 — CID 114391598

IUPAC2-(5-methyl-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)pyridine-3-carboxylic acid
SMILESCC1CC2C(=O)N(c3ncccc3C(=O)O)C(=O)C2C1
InChIInChI=1S/C14H14N2O4/c1-7-5-9-10(6-7)13(18)16(12(9)17)11-8(14(19)20)3-2-4-15-11/h2-4,7,9-10H,5-6H2,1H3,(H,19,20)
InChIKeyOSTQTDTYCHCCBO-UHFFFAOYSA-N
MW274.28 g/mol
LogP1.32
Rot. Bonds2

About 2-(5-methyl-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)pyridine-3-carboxylic acid

2-(5-methyl-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)pyridine-3-carboxylic acid (PubChem CID 114391598) has the molecular formula C14H14N2O4 and a molecular weight of 274.28 g/mol. Its IUPAC name is 2-(5-methyl-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(5-methyl-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)pyridine-3-carboxylic acid
PubChem CID114391598
Molecular FormulaC14H14N2O4
Molecular Weight274.28 g/mol
Exact Mass274.10
IUPAC Name2-(5-methyl-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)pyridine-3-carboxylic acid
SMILESCC1CC2C(=O)N(c3ncccc3C(=O)O)C(=O)C2C1
InChIInChI=1S/C14H14N2O4/c1-7-5-9-10(6-7)13(18)16(12(9)17)11-8(14(19)20)3-2-4-15-11/h2-4,7,9-10H,5-6H2,1H3,(H,19,20)
InChIKeyOSTQTDTYCHCCBO-UHFFFAOYSA-N
XLogP1.32
TPSA87.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(3,4-dimethylpyrrolidin-1-yl)pyridine-3-carboxylic acid
CID 79181220
2-(2,3-dimethylpiperidin-1-yl)pyridine-3-carboxylic acid
CID 62125386
2-pyrrolidin-1-ylpyridine-3-carboxylic acid
CID 2794739
2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)pyridine-3-carboxylic acid
CID 55237033
2-(4-hydroxy-3-methylpiperidin-1-yl)pyridine-3-carboxylic acid
CID 114678869
2-[(3S,4R)-4-hydroxy-3-methylpiperidin-1-yl]pyridine-3-carboxylic acid
CID 129445709
2-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)pyridine-3-carboxylic acid
CID 63653070
2-(4-tert-butylpiperidin-1-yl)pyridine-3-carboxylic acid
CID 62085076
2-(4-propan-2-ylpiperazin-1-yl)pyridine-3-carboxylic acid
CID 43421741
2-[(3S,4R)-3-(hydroxymethyl)-4-methylpyrrolidin-1-yl]pyridine-3-carboxylic acid
CID 129497483
(3,5-dimethylpiperidin-1-yl)-(2-pyrrolidin-1-yl-3-pyridinyl)methanone
CID 84575076
2-[4-(4-fluorophenyl)-2-methylpyrrolidin-1-yl]pyridine-3-carboxylic acid
CID 166239632

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)pyridine-3-carboxylic acid?
The IUPAC name of 2-(5-methyl-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)pyridine-3-carboxylic acid (CID 114391598) is 2-(5-methyl-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(5-methyl-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)pyridine-3-carboxylic acid?
The canonical SMILES for 2-(5-methyl-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)pyridine-3-carboxylic acid is CC1CC2C(=O)N(c3ncccc3C(=O)O)C(=O)C2C1.
What is the InChIKey of 2-(5-methyl-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)pyridine-3-carboxylic acid?
The InChIKey is OSTQTDTYCHCCBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4/c1-7-5-9-10(6-7)13(18)16(12(9)17)11-8(14(19)20)3-2-4-15-11/h2-4,7,9-10H,5-6H2,1H3,(H,19,20).
What are the key properties of 2-(5-methyl-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)pyridine-3-carboxylic acid?
2-(5-methyl-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)pyridine-3-carboxylic acid has a molecular weight of 274.28 g/mol, XLogP of 1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)pyridine-3-carboxylic acid is sourced from PubChem (CID 114391598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).