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

C14H21NO4 — CID 114512330

IUPAC5-(5-ethyl-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)pentanoic acid
SMILESCCC1CC2C(=O)N(CCCCC(=O)O)C(=O)C2C1
InChIInChI=1S/C14H21NO4/c1-2-9-7-10-11(8-9)14(19)15(13(10)18)6-4-3-5-12(16)17/h9-11H,2-8H2,1H3,(H,16,17)
InChIKeyCDZADPCWWDSMLN-UHFFFAOYSA-N
MW267.32 g/mol
LogP1.66
Rot. Bonds6

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

5-(5-ethyl-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)pentanoic acid (PubChem CID 114512330) has the molecular formula C14H21NO4 and a molecular weight of 267.32 g/mol. Its IUPAC name is 5-(5-ethyl-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)pentanoic acid.

Molecular Properties

Compound Name5-(5-ethyl-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)pentanoic acid
PubChem CID114512330
Molecular FormulaC14H21NO4
Molecular Weight267.32 g/mol
Exact Mass267.15
IUPAC Name5-(5-ethyl-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)pentanoic acid
SMILESCCC1CC2C(=O)N(CCCCC(=O)O)C(=O)C2C1
InChIInChI=1S/C14H21NO4/c1-2-9-7-10-11(8-9)14(19)15(13(10)18)6-4-3-5-12(16)17/h9-11H,2-8H2,1H3,(H,16,17)
InChIKeyCDZADPCWWDSMLN-UHFFFAOYSA-N
XLogP1.66
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(5-ethyl-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)pentanoic acid?
The IUPAC name of 5-(5-ethyl-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)pentanoic acid (CID 114512330) is 5-(5-ethyl-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)pentanoic acid.
What is the SMILES notation for 5-(5-ethyl-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)pentanoic acid?
The canonical SMILES for 5-(5-ethyl-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)pentanoic acid is CCC1CC2C(=O)N(CCCCC(=O)O)C(=O)C2C1.
What is the InChIKey of 5-(5-ethyl-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)pentanoic acid?
The InChIKey is CDZADPCWWDSMLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4/c1-2-9-7-10-11(8-9)14(19)15(13(10)18)6-4-3-5-12(16)17/h9-11H,2-8H2,1H3,(H,16,17).
What are the key properties of 5-(5-ethyl-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)pentanoic acid?
5-(5-ethyl-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)pentanoic acid has a molecular weight of 267.32 g/mol, XLogP of 1.66, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-ethyl-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)pentanoic acid is sourced from PubChem (CID 114512330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).