methyl 5-[(2R,3S,4R)-3,4-dihydroxypyrrolidin-2-yl]-2-methylfuran-3-carboxylate

C11H15NO5 — CID 10944569

IUPACmethyl 5-[(2R,3S,4R)-3,4-dihydroxypyrrolidin-2-yl]-2-methylfuran-3-carboxylate
SMILESCOC(=O)c1cc([C@@H]2NC[C@@H](O)[C@H]2O)oc1C
InChIInChI=1S/C11H15NO5/c1-5-6(11(15)16-2)3-8(17-5)9-10(14)7(13)4-12-9/h3,7,9-10,12-14H,4H2,1-2H3/t7-,9+,10-/m1/s1
InChIKeyPWMHDFWOBAXQDM-FKTZTGRPSA-N
MW241.24 g/mol
LogP-0.26
Rot. Bonds2

About methyl 5-[(2R,3S,4R)-3,4-dihydroxypyrrolidin-2-yl]-2-methylfuran-3-carboxylate

methyl 5-[(2R,3S,4R)-3,4-dihydroxypyrrolidin-2-yl]-2-methylfuran-3-carboxylate (PubChem CID 10944569) has the molecular formula C11H15NO5 and a molecular weight of 241.24 g/mol. Its IUPAC name is methyl 5-[(2R,3S,4R)-3,4-dihydroxypyrrolidin-2-yl]-2-methylfuran-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-[(2R,3S,4R)-3,4-dihydroxypyrrolidin-2-yl]-2-methylfuran-3-carboxylate
PubChem CID10944569
Molecular FormulaC11H15NO5
Molecular Weight241.24 g/mol
Exact Mass241.10
IUPAC Namemethyl 5-[(2R,3S,4R)-3,4-dihydroxypyrrolidin-2-yl]-2-methylfuran-3-carboxylate
SMILESCOC(=O)c1cc([C@@H]2NC[C@@H](O)[C@H]2O)oc1C
InChIInChI=1S/C11H15NO5/c1-5-6(11(15)16-2)3-8(17-5)9-10(14)7(13)4-12-9/h3,7,9-10,12-14H,4H2,1-2H3/t7-,9+,10-/m1/s1
InChIKeyPWMHDFWOBAXQDM-FKTZTGRPSA-N
XLogP-0.26
TPSA91.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.24
LogP ≤ 5-0.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 5-[(2R,3S,4R)-3,4-dihydroxypyrrolidin-2-yl]-2-methylfuran-3-carboxylate?
The IUPAC name of methyl 5-[(2R,3S,4R)-3,4-dihydroxypyrrolidin-2-yl]-2-methylfuran-3-carboxylate (CID 10944569) is methyl 5-[(2R,3S,4R)-3,4-dihydroxypyrrolidin-2-yl]-2-methylfuran-3-carboxylate.
What is the SMILES notation for methyl 5-[(2R,3S,4R)-3,4-dihydroxypyrrolidin-2-yl]-2-methylfuran-3-carboxylate?
The canonical SMILES for methyl 5-[(2R,3S,4R)-3,4-dihydroxypyrrolidin-2-yl]-2-methylfuran-3-carboxylate is COC(=O)c1cc([C@@H]2NC[C@@H](O)[C@H]2O)oc1C.
What is the InChIKey of methyl 5-[(2R,3S,4R)-3,4-dihydroxypyrrolidin-2-yl]-2-methylfuran-3-carboxylate?
The InChIKey is PWMHDFWOBAXQDM-FKTZTGRPSA-N. The full InChI is InChI=1S/C11H15NO5/c1-5-6(11(15)16-2)3-8(17-5)9-10(14)7(13)4-12-9/h3,7,9-10,12-14H,4H2,1-2H3/t7-,9+,10-/m1/s1.
What are the key properties of methyl 5-[(2R,3S,4R)-3,4-dihydroxypyrrolidin-2-yl]-2-methylfuran-3-carboxylate?
methyl 5-[(2R,3S,4R)-3,4-dihydroxypyrrolidin-2-yl]-2-methylfuran-3-carboxylate has a molecular weight of 241.24 g/mol, XLogP of -0.26, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(2R,3S,4R)-3,4-dihydroxypyrrolidin-2-yl]-2-methylfuran-3-carboxylate is sourced from PubChem (CID 10944569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).