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

C15H16N2O4 — CID 114512335

IUPAC2-(5-ethyl-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)pyridine-4-carboxylic acid
SMILESCCC1CC2C(=O)N(c3cc(C(=O)O)ccn3)C(=O)C2C1
InChIInChI=1S/C15H16N2O4/c1-2-8-5-10-11(6-8)14(19)17(13(10)18)12-7-9(15(20)21)3-4-16-12/h3-4,7-8,10-11H,2,5-6H2,1H3,(H,20,21)
InChIKeyCFXCXCJNBITFMF-UHFFFAOYSA-N
MW288.30 g/mol
LogP1.71
Rot. Bonds3

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

2-(5-ethyl-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)pyridine-4-carboxylic acid (PubChem CID 114512335) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is 2-(5-ethyl-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-(5-ethyl-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)pyridine-4-carboxylic acid
PubChem CID114512335
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Name2-(5-ethyl-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)pyridine-4-carboxylic acid
SMILESCCC1CC2C(=O)N(c3cc(C(=O)O)ccn3)C(=O)C2C1
InChIInChI=1S/C15H16N2O4/c1-2-8-5-10-11(6-8)14(19)17(13(10)18)12-7-9(15(20)21)3-4-16-12/h3-4,7-8,10-11H,2,5-6H2,1H3,(H,20,21)
InChIKeyCFXCXCJNBITFMF-UHFFFAOYSA-N
XLogP1.71
TPSA87.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 51.71
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-[(2R)-2-ethylpyrrolidin-1-yl]pyridine-4-carboxylic acid
CID 93394486
5-ethyl-2-(5-iodo-2-pyridinyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
CID 114512713
2-(3-azabicyclo[3.1.0]hexan-3-yl)pyridine-4-carboxylic acid
CID 83832434
4-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)pyridine-2-carboxylic acid
CID 63650201
2-[4-(hydroxymethyl)piperidin-1-yl]pyridine-4-carboxylic acid
CID 43133367
2-(4-methylpiperazin-1-yl)pyridine-4-carboxylic acid
CID 6484238
2-[(2-amino-4-pyridinyl)methyl]-5-ethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
CID 114513953
2-(5-cyclopropyl-3-oxo-1H-pyrazol-2-yl)pyridine-4-carboxylic acid
CID 76901427
2-[(1S,2S,6R,7R)-4-azatricyclo[5.2.1.02,6]decan-4-yl]pyridine-4-carboxylic acid
CID 56874712
2-[[(4-ethylpiperidine-1-carbonyl)amino]methyl]pyridine-4-carboxylic acid
CID 114325192
4-(3-ethylpiperidine-1-carbonyl)pyridine-2-carboxylic acid
CID 112700662
2-[(5-ethyl-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)methyl]furan-3-carboxylic acid
CID 114512897

Frequently Asked Questions

What is the IUPAC name of 2-(5-ethyl-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)pyridine-4-carboxylic acid?
The IUPAC name of 2-(5-ethyl-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)pyridine-4-carboxylic acid (CID 114512335) is 2-(5-ethyl-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)pyridine-4-carboxylic acid.
What is the SMILES notation for 2-(5-ethyl-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)pyridine-4-carboxylic acid?
The canonical SMILES for 2-(5-ethyl-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)pyridine-4-carboxylic acid is CCC1CC2C(=O)N(c3cc(C(=O)O)ccn3)C(=O)C2C1.
What is the InChIKey of 2-(5-ethyl-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)pyridine-4-carboxylic acid?
The InChIKey is CFXCXCJNBITFMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4/c1-2-8-5-10-11(6-8)14(19)17(13(10)18)12-7-9(15(20)21)3-4-16-12/h3-4,7-8,10-11H,2,5-6H2,1H3,(H,20,21).
What are the key properties of 2-(5-ethyl-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)pyridine-4-carboxylic acid?
2-(5-ethyl-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)pyridine-4-carboxylic acid has a molecular weight of 288.30 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethyl-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)pyridine-4-carboxylic acid is sourced from PubChem (CID 114512335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).