(2,5-dihydroxypyrrol-1-yl) 2-(2-oxo-4-phenylpyrrolidin-1-yl)acetate

C16H16N2O5 — CID 54148563

IUPAC(2,5-dihydroxypyrrol-1-yl) 2-(2-oxo-4-phenylpyrrolidin-1-yl)acetate
SMILESO=C(CN1CC(c2ccccc2)CC1=O)On1c(O)ccc1O
InChIInChI=1S/C16H16N2O5/c19-13-6-7-14(20)18(13)23-16(22)10-17-9-12(8-15(17)21)11-4-2-1-3-5-11/h1-7,12,19-20H,8-10H2
InChIKeyOGCIXFRRCUHWRX-UHFFFAOYSA-N
MW316.31 g/mol
LogP0.87
Rot. Bonds4

About (2,5-dihydroxypyrrol-1-yl) 2-(2-oxo-4-phenylpyrrolidin-1-yl)acetate

(2,5-dihydroxypyrrol-1-yl) 2-(2-oxo-4-phenylpyrrolidin-1-yl)acetate (PubChem CID 54148563) has the molecular formula C16H16N2O5 and a molecular weight of 316.31 g/mol. Its IUPAC name is (2,5-dihydroxypyrrol-1-yl) 2-(2-oxo-4-phenylpyrrolidin-1-yl)acetate.

Molecular Properties

Compound Name(2,5-dihydroxypyrrol-1-yl) 2-(2-oxo-4-phenylpyrrolidin-1-yl)acetate
PubChem CID54148563
Molecular FormulaC16H16N2O5
Molecular Weight316.31 g/mol
Exact Mass316.11
IUPAC Name(2,5-dihydroxypyrrol-1-yl) 2-(2-oxo-4-phenylpyrrolidin-1-yl)acetate
SMILESO=C(CN1CC(c2ccccc2)CC1=O)On1c(O)ccc1O
InChIInChI=1S/C16H16N2O5/c19-13-6-7-14(20)18(13)23-16(22)10-17-9-12(8-15(17)21)11-4-2-1-3-5-11/h1-7,12,19-20H,8-10H2
InChIKeyOGCIXFRRCUHWRX-UHFFFAOYSA-N
XLogP0.87
TPSA92.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.31
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2,5-dihydroxypyrrol-1-yl) 2-(2-oxo-4-phenylpyrrolidin-1-yl)acetate?
The IUPAC name of (2,5-dihydroxypyrrol-1-yl) 2-(2-oxo-4-phenylpyrrolidin-1-yl)acetate (CID 54148563) is (2,5-dihydroxypyrrol-1-yl) 2-(2-oxo-4-phenylpyrrolidin-1-yl)acetate.
What is the SMILES notation for (2,5-dihydroxypyrrol-1-yl) 2-(2-oxo-4-phenylpyrrolidin-1-yl)acetate?
The canonical SMILES for (2,5-dihydroxypyrrol-1-yl) 2-(2-oxo-4-phenylpyrrolidin-1-yl)acetate is O=C(CN1CC(c2ccccc2)CC1=O)On1c(O)ccc1O.
What is the InChIKey of (2,5-dihydroxypyrrol-1-yl) 2-(2-oxo-4-phenylpyrrolidin-1-yl)acetate?
The InChIKey is OGCIXFRRCUHWRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O5/c19-13-6-7-14(20)18(13)23-16(22)10-17-9-12(8-15(17)21)11-4-2-1-3-5-11/h1-7,12,19-20H,8-10H2.
What are the key properties of (2,5-dihydroxypyrrol-1-yl) 2-(2-oxo-4-phenylpyrrolidin-1-yl)acetate?
(2,5-dihydroxypyrrol-1-yl) 2-(2-oxo-4-phenylpyrrolidin-1-yl)acetate has a molecular weight of 316.31 g/mol, XLogP of 0.87, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dihydroxypyrrol-1-yl) 2-(2-oxo-4-phenylpyrrolidin-1-yl)acetate is sourced from PubChem (CID 54148563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).