5-[(2R,3S,4R)-3,4-dihydroxypyrrolidin-2-yl]-N,N-diethyl-2-methylfuran-3-carboxamide

C14H22N2O4 — CID 513280

IUPAC5-[(2R,3S,4R)-3,4-dihydroxypyrrolidin-2-yl]-N,N-diethyl-2-methylfuran-3-carboxamide
SMILESCCN(CC)C(=O)c1cc([C@@H]2NC[C@@H](O)[C@H]2O)oc1C
InChIInChI=1S/C14H22N2O4/c1-4-16(5-2)14(19)9-6-11(20-8(9)3)12-13(18)10(17)7-15-12/h6,10,12-13,15,17-18H,4-5,7H2,1-3H3/t10-,12+,13-/m1/s1
InChIKeyJMGMYORMUHCVGM-KGYLQXTDSA-N
MW282.34 g/mol
LogP0.44
Rot. Bonds4

About 5-[(2R,3S,4R)-3,4-dihydroxypyrrolidin-2-yl]-N,N-diethyl-2-methylfuran-3-carboxamide

5-[(2R,3S,4R)-3,4-dihydroxypyrrolidin-2-yl]-N,N-diethyl-2-methylfuran-3-carboxamide (PubChem CID 513280) has the molecular formula C14H22N2O4 and a molecular weight of 282.34 g/mol. Its IUPAC name is 5-[(2R,3S,4R)-3,4-dihydroxypyrrolidin-2-yl]-N,N-diethyl-2-methylfuran-3-carboxamide.

Molecular Properties

Compound Name5-[(2R,3S,4R)-3,4-dihydroxypyrrolidin-2-yl]-N,N-diethyl-2-methylfuran-3-carboxamide
PubChem CID513280
Molecular FormulaC14H22N2O4
Molecular Weight282.34 g/mol
Exact Mass282.16
IUPAC Name5-[(2R,3S,4R)-3,4-dihydroxypyrrolidin-2-yl]-N,N-diethyl-2-methylfuran-3-carboxamide
SMILESCCN(CC)C(=O)c1cc([C@@H]2NC[C@@H](O)[C@H]2O)oc1C
InChIInChI=1S/C14H22N2O4/c1-4-16(5-2)14(19)9-6-11(20-8(9)3)12-13(18)10(17)7-15-12/h6,10,12-13,15,17-18H,4-5,7H2,1-3H3/t10-,12+,13-/m1/s1
InChIKeyJMGMYORMUHCVGM-KGYLQXTDSA-N
XLogP0.44
TPSA85.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 50.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(2R,3S,4R)-3,4-dihydroxypyrrolidin-2-yl]-N,N-diethyl-2-methylfuran-3-carboxamide?
The IUPAC name of 5-[(2R,3S,4R)-3,4-dihydroxypyrrolidin-2-yl]-N,N-diethyl-2-methylfuran-3-carboxamide (CID 513280) is 5-[(2R,3S,4R)-3,4-dihydroxypyrrolidin-2-yl]-N,N-diethyl-2-methylfuran-3-carboxamide.
What is the SMILES notation for 5-[(2R,3S,4R)-3,4-dihydroxypyrrolidin-2-yl]-N,N-diethyl-2-methylfuran-3-carboxamide?
The canonical SMILES for 5-[(2R,3S,4R)-3,4-dihydroxypyrrolidin-2-yl]-N,N-diethyl-2-methylfuran-3-carboxamide is CCN(CC)C(=O)c1cc([C@@H]2NC[C@@H](O)[C@H]2O)oc1C.
What is the InChIKey of 5-[(2R,3S,4R)-3,4-dihydroxypyrrolidin-2-yl]-N,N-diethyl-2-methylfuran-3-carboxamide?
The InChIKey is JMGMYORMUHCVGM-KGYLQXTDSA-N. The full InChI is InChI=1S/C14H22N2O4/c1-4-16(5-2)14(19)9-6-11(20-8(9)3)12-13(18)10(17)7-15-12/h6,10,12-13,15,17-18H,4-5,7H2,1-3H3/t10-,12+,13-/m1/s1.
What are the key properties of 5-[(2R,3S,4R)-3,4-dihydroxypyrrolidin-2-yl]-N,N-diethyl-2-methylfuran-3-carboxamide?
5-[(2R,3S,4R)-3,4-dihydroxypyrrolidin-2-yl]-N,N-diethyl-2-methylfuran-3-carboxamide has a molecular weight of 282.34 g/mol, XLogP of 0.44, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R,3S,4R)-3,4-dihydroxypyrrolidin-2-yl]-N,N-diethyl-2-methylfuran-3-carboxamide is sourced from PubChem (CID 513280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).