2-[1-(3,5-dioxomorpholin-4-yl)cyclopentyl]acetic acid

C11H15NO5 — CID 64701542

IUPAC2-[1-(3,5-dioxomorpholin-4-yl)cyclopentyl]acetic acid
SMILESO=C(O)CC1(N2C(=O)COCC2=O)CCCC1
InChIInChI=1S/C11H15NO5/c13-8-6-17-7-9(14)12(8)11(5-10(15)16)3-1-2-4-11/h1-7H2,(H,15,16)
InChIKeyOCGYKHLIWZAVBZ-UHFFFAOYSA-N
MW241.24 g/mol
LogP0.16
Rot. Bonds3

About 2-[1-(3,5-dioxomorpholin-4-yl)cyclopentyl]acetic acid

2-[1-(3,5-dioxomorpholin-4-yl)cyclopentyl]acetic acid (PubChem CID 64701542) has the molecular formula C11H15NO5 and a molecular weight of 241.24 g/mol. Its IUPAC name is 2-[1-(3,5-dioxomorpholin-4-yl)cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-(3,5-dioxomorpholin-4-yl)cyclopentyl]acetic acid
PubChem CID64701542
Molecular FormulaC11H15NO5
Molecular Weight241.24 g/mol
Exact Mass241.10
IUPAC Name2-[1-(3,5-dioxomorpholin-4-yl)cyclopentyl]acetic acid
SMILESO=C(O)CC1(N2C(=O)COCC2=O)CCCC1
InChIInChI=1S/C11H15NO5/c13-8-6-17-7-9(14)12(8)11(5-10(15)16)3-1-2-4-11/h1-7H2,(H,15,16)
InChIKeyOCGYKHLIWZAVBZ-UHFFFAOYSA-N
XLogP0.16
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.24
LogP ≤ 50.16
H-Bond Donors ≤ 51
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-(3,5-dioxomorpholin-4-yl)cyclopentyl]acetic acid?
The IUPAC name of 2-[1-(3,5-dioxomorpholin-4-yl)cyclopentyl]acetic acid (CID 64701542) is 2-[1-(3,5-dioxomorpholin-4-yl)cyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-(3,5-dioxomorpholin-4-yl)cyclopentyl]acetic acid?
The canonical SMILES for 2-[1-(3,5-dioxomorpholin-4-yl)cyclopentyl]acetic acid is O=C(O)CC1(N2C(=O)COCC2=O)CCCC1.
What is the InChIKey of 2-[1-(3,5-dioxomorpholin-4-yl)cyclopentyl]acetic acid?
The InChIKey is OCGYKHLIWZAVBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO5/c13-8-6-17-7-9(14)12(8)11(5-10(15)16)3-1-2-4-11/h1-7H2,(H,15,16).
What are the key properties of 2-[1-(3,5-dioxomorpholin-4-yl)cyclopentyl]acetic acid?
2-[1-(3,5-dioxomorpholin-4-yl)cyclopentyl]acetic acid has a molecular weight of 241.24 g/mol, XLogP of 0.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3,5-dioxomorpholin-4-yl)cyclopentyl]acetic acid is sourced from PubChem (CID 64701542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).