dimethyl (2R,4R,5S)-5-(furan-2-yl)pyrrolidine-2,4-dicarboxylate

C12H15NO5 — CID 162416061

IUPACdimethyl (2R,4R,5S)-5-(furan-2-yl)pyrrolidine-2,4-dicarboxylate
SMILESCOC(=O)[C@H]1C[C@@H](C(=O)OC)[C@@H](c2ccco2)N1
InChIInChI=1S/C12H15NO5/c1-16-11(14)7-6-8(12(15)17-2)13-10(7)9-4-3-5-18-9/h3-5,7-8,10,13H,6H2,1-2H3/t7-,8-,10+/m1/s1
InChIKeyJKROPFFCSWRSBH-MRTMQBJTSA-N
MW253.25 g/mol
LogP0.64
Rot. Bonds3

About dimethyl (2R,4R,5S)-5-(furan-2-yl)pyrrolidine-2,4-dicarboxylate

dimethyl (2R,4R,5S)-5-(furan-2-yl)pyrrolidine-2,4-dicarboxylate (PubChem CID 162416061) has the molecular formula C12H15NO5 and a molecular weight of 253.25 g/mol. Its IUPAC name is dimethyl (2R,4R,5S)-5-(furan-2-yl)pyrrolidine-2,4-dicarboxylate.

Molecular Properties

Compound Namedimethyl (2R,4R,5S)-5-(furan-2-yl)pyrrolidine-2,4-dicarboxylate
PubChem CID162416061
Molecular FormulaC12H15NO5
Molecular Weight253.25 g/mol
Exact Mass253.10
IUPAC Namedimethyl (2R,4R,5S)-5-(furan-2-yl)pyrrolidine-2,4-dicarboxylate
SMILESCOC(=O)[C@H]1C[C@@H](C(=O)OC)[C@@H](c2ccco2)N1
InChIInChI=1S/C12H15NO5/c1-16-11(14)7-6-8(12(15)17-2)13-10(7)9-4-3-5-18-9/h3-5,7-8,10,13H,6H2,1-2H3/t7-,8-,10+/m1/s1
InChIKeyJKROPFFCSWRSBH-MRTMQBJTSA-N
XLogP0.64
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.25
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of dimethyl (2R,4R,5S)-5-(furan-2-yl)pyrrolidine-2,4-dicarboxylate?
The IUPAC name of dimethyl (2R,4R,5S)-5-(furan-2-yl)pyrrolidine-2,4-dicarboxylate (CID 162416061) is dimethyl (2R,4R,5S)-5-(furan-2-yl)pyrrolidine-2,4-dicarboxylate.
What is the SMILES notation for dimethyl (2R,4R,5S)-5-(furan-2-yl)pyrrolidine-2,4-dicarboxylate?
The canonical SMILES for dimethyl (2R,4R,5S)-5-(furan-2-yl)pyrrolidine-2,4-dicarboxylate is COC(=O)[C@H]1C[C@@H](C(=O)OC)[C@@H](c2ccco2)N1.
What is the InChIKey of dimethyl (2R,4R,5S)-5-(furan-2-yl)pyrrolidine-2,4-dicarboxylate?
The InChIKey is JKROPFFCSWRSBH-MRTMQBJTSA-N. The full InChI is InChI=1S/C12H15NO5/c1-16-11(14)7-6-8(12(15)17-2)13-10(7)9-4-3-5-18-9/h3-5,7-8,10,13H,6H2,1-2H3/t7-,8-,10+/m1/s1.
What are the key properties of dimethyl (2R,4R,5S)-5-(furan-2-yl)pyrrolidine-2,4-dicarboxylate?
dimethyl (2R,4R,5S)-5-(furan-2-yl)pyrrolidine-2,4-dicarboxylate has a molecular weight of 253.25 g/mol, XLogP of 0.64, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (2R,4R,5S)-5-(furan-2-yl)pyrrolidine-2,4-dicarboxylate is sourced from PubChem (CID 162416061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).