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

C11H13NO6 — CID 103979371

IUPAC2-(1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)butanedioic acid
SMILESO=C(O)CC(C(=O)O)N1C(=O)C2CCCC2C1=O
InChIInChI=1S/C11H13NO6/c13-8(14)4-7(11(17)18)12-9(15)5-2-1-3-6(5)10(12)16/h5-7H,1-4H2,(H,13,14)(H,17,18)
InChIKeyGHBKAXJIEIFADB-UHFFFAOYSA-N
MW255.23 g/mol
LogP-0.30
Rot. Bonds4

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

2-(1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)butanedioic acid (PubChem CID 103979371) has the molecular formula C11H13NO6 and a molecular weight of 255.23 g/mol. Its IUPAC name is 2-(1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)butanedioic acid.

Molecular Properties

Compound Name2-(1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)butanedioic acid
PubChem CID103979371
Molecular FormulaC11H13NO6
Molecular Weight255.23 g/mol
Exact Mass255.07
IUPAC Name2-(1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)butanedioic acid
SMILESO=C(O)CC(C(=O)O)N1C(=O)C2CCCC2C1=O
InChIInChI=1S/C11H13NO6/c13-8(14)4-7(11(17)18)12-9(15)5-2-1-3-6(5)10(12)16/h5-7H,1-4H2,(H,13,14)(H,17,18)
InChIKeyGHBKAXJIEIFADB-UHFFFAOYSA-N
XLogP-0.30
TPSA111.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.23
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)butanedioic acid?
The IUPAC name of 2-(1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)butanedioic acid (CID 103979371) is 2-(1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)butanedioic acid.
What is the SMILES notation for 2-(1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)butanedioic acid?
The canonical SMILES for 2-(1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)butanedioic acid is O=C(O)CC(C(=O)O)N1C(=O)C2CCCC2C1=O.
What is the InChIKey of 2-(1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)butanedioic acid?
The InChIKey is GHBKAXJIEIFADB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO6/c13-8(14)4-7(11(17)18)12-9(15)5-2-1-3-6(5)10(12)16/h5-7H,1-4H2,(H,13,14)(H,17,18).
What are the key properties of 2-(1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)butanedioic acid?
2-(1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)butanedioic acid has a molecular weight of 255.23 g/mol, XLogP of -0.30, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)butanedioic acid is sourced from PubChem (CID 103979371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).