[(5S)-5-[(2R)-2-methoxy-5-oxopyrrolidin-1-yl]-2,5-dihydrofuran-3-yl]methyl 1H-pyrrole-2-carboxylate

C15H18N2O5 — CID 636754

IUPAC[(5S)-5-[(2R)-2-methoxy-5-oxopyrrolidin-1-yl]-2,5-dihydrofuran-3-yl]methyl 1H-pyrrole-2-carboxylate
SMILESCO[C@@H]1CCC(=O)N1[C@@H]1C=C(COC(=O)c2ccc[nH]2)CO1
InChIInChI=1S/C15H18N2O5/c1-20-13-5-4-12(18)17(13)14-7-10(8-21-14)9-22-15(19)11-3-2-6-16-11/h2-3,6-7,13-14,16H,4-5,8-9H2,1H3/t13-,14+/m1/s1
InChIKeyBPMLAWBYBLOCCU-KGLIPLIRSA-N
MW306.32 g/mol
LogP1.05
Rot. Bonds5

About [(5S)-5-[(2R)-2-methoxy-5-oxopyrrolidin-1-yl]-2,5-dihydrofuran-3-yl]methyl 1H-pyrrole-2-carboxylate

[(5S)-5-[(2R)-2-methoxy-5-oxopyrrolidin-1-yl]-2,5-dihydrofuran-3-yl]methyl 1H-pyrrole-2-carboxylate (PubChem CID 636754) has the molecular formula C15H18N2O5 and a molecular weight of 306.32 g/mol. Its IUPAC name is [(5S)-5-[(2R)-2-methoxy-5-oxopyrrolidin-1-yl]-2,5-dihydrofuran-3-yl]methyl 1H-pyrrole-2-carboxylate.

Molecular Properties

Compound Name[(5S)-5-[(2R)-2-methoxy-5-oxopyrrolidin-1-yl]-2,5-dihydrofuran-3-yl]methyl 1H-pyrrole-2-carboxylate
PubChem CID636754
Molecular FormulaC15H18N2O5
Molecular Weight306.32 g/mol
Exact Mass306.12
IUPAC Name[(5S)-5-[(2R)-2-methoxy-5-oxopyrrolidin-1-yl]-2,5-dihydrofuran-3-yl]methyl 1H-pyrrole-2-carboxylate
SMILESCO[C@@H]1CCC(=O)N1[C@@H]1C=C(COC(=O)c2ccc[nH]2)CO1
InChIInChI=1S/C15H18N2O5/c1-20-13-5-4-12(18)17(13)14-7-10(8-21-14)9-22-15(19)11-3-2-6-16-11/h2-3,6-7,13-14,16H,4-5,8-9H2,1H3/t13-,14+/m1/s1
InChIKeyBPMLAWBYBLOCCU-KGLIPLIRSA-N
XLogP1.05
TPSA80.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(5S)-5-[(2R)-2-methoxy-5-oxopyrrolidin-1-yl]-2,5-dihydrofuran-3-yl]methyl 1H-pyrrole-2-carboxylate?
The IUPAC name of [(5S)-5-[(2R)-2-methoxy-5-oxopyrrolidin-1-yl]-2,5-dihydrofuran-3-yl]methyl 1H-pyrrole-2-carboxylate (CID 636754) is [(5S)-5-[(2R)-2-methoxy-5-oxopyrrolidin-1-yl]-2,5-dihydrofuran-3-yl]methyl 1H-pyrrole-2-carboxylate.
What is the SMILES notation for [(5S)-5-[(2R)-2-methoxy-5-oxopyrrolidin-1-yl]-2,5-dihydrofuran-3-yl]methyl 1H-pyrrole-2-carboxylate?
The canonical SMILES for [(5S)-5-[(2R)-2-methoxy-5-oxopyrrolidin-1-yl]-2,5-dihydrofuran-3-yl]methyl 1H-pyrrole-2-carboxylate is CO[C@@H]1CCC(=O)N1[C@@H]1C=C(COC(=O)c2ccc[nH]2)CO1.
What is the InChIKey of [(5S)-5-[(2R)-2-methoxy-5-oxopyrrolidin-1-yl]-2,5-dihydrofuran-3-yl]methyl 1H-pyrrole-2-carboxylate?
The InChIKey is BPMLAWBYBLOCCU-KGLIPLIRSA-N. The full InChI is InChI=1S/C15H18N2O5/c1-20-13-5-4-12(18)17(13)14-7-10(8-21-14)9-22-15(19)11-3-2-6-16-11/h2-3,6-7,13-14,16H,4-5,8-9H2,1H3/t13-,14+/m1/s1.
What are the key properties of [(5S)-5-[(2R)-2-methoxy-5-oxopyrrolidin-1-yl]-2,5-dihydrofuran-3-yl]methyl 1H-pyrrole-2-carboxylate?
[(5S)-5-[(2R)-2-methoxy-5-oxopyrrolidin-1-yl]-2,5-dihydrofuran-3-yl]methyl 1H-pyrrole-2-carboxylate has a molecular weight of 306.32 g/mol, XLogP of 1.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(5S)-5-[(2R)-2-methoxy-5-oxopyrrolidin-1-yl]-2,5-dihydrofuran-3-yl]methyl 1H-pyrrole-2-carboxylate is sourced from PubChem (CID 636754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).