ethyl (4R)-6-[[(2S)-2-(1,3-dioxoisoindol-2-yl)propanoyl]oxymethyl]-4-(furan-2-yl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate

About ethyl (4R)-6-[[(2S)-2-(1,3-dioxoisoindol-2-yl)propanoyl]oxymethyl]-4-(furan-2-yl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate

ethyl (4R)-6-[[(2S)-2-(1,3-dioxoisoindol-2-yl)propanoyl]oxymethyl]-4-(furan-2-yl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate (PubChem CID 27927097) has the molecular formula C23H21N3O8 and a molecular weight of 467.43 g/mol. Its IUPAC name is ethyl (4R)-6-[[(2S)-2-(1,3-dioxoisoindol-2-yl)propanoyl]oxymethyl]-4-(furan-2-yl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate.

Molecular Properties

Compound Name	ethyl (4R)-6-[[(2S)-2-(1,3-dioxoisoindol-2-yl)propanoyl]oxymethyl]-4-(furan-2-yl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
PubChem CID	27927097
Molecular Formula	C23H21N3O8
Molecular Weight	467.43 g/mol
Exact Mass	467.13
IUPAC Name	ethyl (4R)-6-[[(2S)-2-(1,3-dioxoisoindol-2-yl)propanoyl]oxymethyl]-4-(furan-2-yl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
SMILES	CCOC(=O)C1=C(COC(=O)[C@H](C)N2C(=O)c3ccccc3C2=O)NC(=O)N[C@H]1c1ccco1
InChI	InChI=1S/C23H21N3O8/c1-3-32-22(30)17-15(24-23(31)25-18(17)16-9-6-10-33-16)11-34-21(29)12(2)26-19(27)13-7-4-5-8-14(13)20(26)28/h4-10,12,18H,3,11H2,1-2H3,(H2,24,25,31)/t12-,18-/m0/s1
InChIKey	CBTGFWAHVJGSMH-SGTLLEGYSA-N
XLogP	1.68
TPSA	144.25 Å²
H-Bond Donors	2
H-Bond Acceptors	8
Rotatable Bonds	7
Heavy Atoms	34
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	467.43
LogP ≤ 5	1.68
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of ethyl (4R)-6-[[(2S)-2-(1,3-dioxoisoindol-2-yl)propanoyl]oxymethyl]-4-(furan-2-yl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate?

The IUPAC name of ethyl (4R)-6-[[(2S)-2-(1,3-dioxoisoindol-2-yl)propanoyl]oxymethyl]-4-(furan-2-yl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate (CID 27927097) is ethyl (4R)-6-[[(2S)-2-(1,3-dioxoisoindol-2-yl)propanoyl]oxymethyl]-4-(furan-2-yl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate.

What is the SMILES notation for ethyl (4R)-6-[[(2S)-2-(1,3-dioxoisoindol-2-yl)propanoyl]oxymethyl]-4-(furan-2-yl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate?

The canonical SMILES for ethyl (4R)-6-[[(2S)-2-(1,3-dioxoisoindol-2-yl)propanoyl]oxymethyl]-4-(furan-2-yl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate is CCOC(=O)C1=C(COC(=O)[C@H](C)N2C(=O)c3ccccc3C2=O)NC(=O)N[C@H]1c1ccco1.

What is the InChIKey of ethyl (4R)-6-[[(2S)-2-(1,3-dioxoisoindol-2-yl)propanoyl]oxymethyl]-4-(furan-2-yl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate?

The InChIKey is CBTGFWAHVJGSMH-SGTLLEGYSA-N. The full InChI is InChI=1S/C23H21N3O8/c1-3-32-22(30)17-15(24-23(31)25-18(17)16-9-6-10-33-16)11-34-21(29)12(2)26-19(27)13-7-4-5-8-14(13)20(26)28/h4-10,12,18H,3,11H2,1-2H3,(H2,24,25,31)/t12-,18-/m0/s1.

What are the key properties of ethyl (4R)-6-[[(2S)-2-(1,3-dioxoisoindol-2-yl)propanoyl]oxymethyl]-4-(furan-2-yl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate?

ethyl (4R)-6-[[(2S)-2-(1,3-dioxoisoindol-2-yl)propanoyl]oxymethyl]-4-(furan-2-yl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate has a molecular weight of 467.43 g/mol, XLogP of 1.68, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl (4R)-6-[[(2S)-2-(1,3-dioxoisoindol-2-yl)propanoyl]oxymethyl]-4-(furan-2-yl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate is sourced from PubChem (CID 27927097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).