(2,5-dioxopyrrolidin-1-yl) 3-phenylmethoxypropanoate

C14H15NO5 — CID 118999798

IUPAC(2,5-dioxopyrrolidin-1-yl) 3-phenylmethoxypropanoate
SMILESO=C(CCOCc1ccccc1)ON1C(=O)CCC1=O
InChIInChI=1S/C14H15NO5/c16-12-6-7-13(17)15(12)20-14(18)8-9-19-10-11-4-2-1-3-5-11/h1-5H,6-10H2
InChIKeyNSJDNWOGFMFTKV-UHFFFAOYSA-N
MW277.28 g/mol
LogP1.20
Rot. Bonds6

About (2,5-dioxopyrrolidin-1-yl) 3-phenylmethoxypropanoate

(2,5-dioxopyrrolidin-1-yl) 3-phenylmethoxypropanoate (PubChem CID 118999798) has the molecular formula C14H15NO5 and a molecular weight of 277.28 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 3-phenylmethoxypropanoate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 3-phenylmethoxypropanoate
PubChem CID118999798
Molecular FormulaC14H15NO5
Molecular Weight277.28 g/mol
Exact Mass277.10
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 3-phenylmethoxypropanoate
SMILESO=C(CCOCc1ccccc1)ON1C(=O)CCC1=O
InChIInChI=1S/C14H15NO5/c16-12-6-7-13(17)15(12)20-14(18)8-9-19-10-11-4-2-1-3-5-11/h1-5H,6-10H2
InChIKeyNSJDNWOGFMFTKV-UHFFFAOYSA-N
XLogP1.20
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 (2,5-dioxopyrrolidin-1-yl) 3-phenylmethoxypropanoate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 3-phenylmethoxypropanoate (CID 118999798) is (2,5-dioxopyrrolidin-1-yl) 3-phenylmethoxypropanoate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 3-phenylmethoxypropanoate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 3-phenylmethoxypropanoate is O=C(CCOCc1ccccc1)ON1C(=O)CCC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 3-phenylmethoxypropanoate?
The InChIKey is NSJDNWOGFMFTKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO5/c16-12-6-7-13(17)15(12)20-14(18)8-9-19-10-11-4-2-1-3-5-11/h1-5H,6-10H2.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 3-phenylmethoxypropanoate?
(2,5-dioxopyrrolidin-1-yl) 3-phenylmethoxypropanoate has a molecular weight of 277.28 g/mol, XLogP of 1.20, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) 3-phenylmethoxypropanoate is sourced from PubChem (CID 118999798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).