5-[(2R,3S,4R)-3,4-dihydroxypyrrolidin-2-yl]-2-methyl-N-propan-2-ylfuran-3-carboxamide

C13H20N2O4 — CID 513281

IUPAC5-[(2R,3S,4R)-3,4-dihydroxypyrrolidin-2-yl]-2-methyl-N-propan-2-ylfuran-3-carboxamide
SMILESCc1oc([C@@H]2NC[C@@H](O)[C@H]2O)cc1C(=O)NC(C)C
InChIInChI=1S/C13H20N2O4/c1-6(2)15-13(18)8-4-10(19-7(8)3)11-12(17)9(16)5-14-11/h4,6,9,11-12,14,16-17H,5H2,1-3H3,(H,15,18)/t9-,11+,12-/m1/s1
InChIKeyVHRUAYMCMAKGDX-ADEWGFFLSA-N
MW268.31 g/mol
LogP0.09
Rot. Bonds3

About 5-[(2R,3S,4R)-3,4-dihydroxypyrrolidin-2-yl]-2-methyl-N-propan-2-ylfuran-3-carboxamide

5-[(2R,3S,4R)-3,4-dihydroxypyrrolidin-2-yl]-2-methyl-N-propan-2-ylfuran-3-carboxamide (PubChem CID 513281) has the molecular formula C13H20N2O4 and a molecular weight of 268.31 g/mol. Its IUPAC name is 5-[(2R,3S,4R)-3,4-dihydroxypyrrolidin-2-yl]-2-methyl-N-propan-2-ylfuran-3-carboxamide.

Molecular Properties

Compound Name5-[(2R,3S,4R)-3,4-dihydroxypyrrolidin-2-yl]-2-methyl-N-propan-2-ylfuran-3-carboxamide
PubChem CID513281
Molecular FormulaC13H20N2O4
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC Name5-[(2R,3S,4R)-3,4-dihydroxypyrrolidin-2-yl]-2-methyl-N-propan-2-ylfuran-3-carboxamide
SMILESCc1oc([C@@H]2NC[C@@H](O)[C@H]2O)cc1C(=O)NC(C)C
InChIInChI=1S/C13H20N2O4/c1-6(2)15-13(18)8-4-10(19-7(8)3)11-12(17)9(16)5-14-11/h4,6,9,11-12,14,16-17H,5H2,1-3H3,(H,15,18)/t9-,11+,12-/m1/s1
InChIKeyVHRUAYMCMAKGDX-ADEWGFFLSA-N
XLogP0.09
TPSA94.73 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 50.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 5-[(2R,3S,4R)-3,4-dihydroxypyrrolidin-2-yl]-2-methyl-N-propan-2-ylfuran-3-carboxamide with MolForge

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Related Compounds

2N-methyl-4N-(4-oxidanylcyclohexyl)-5-[(1S)-1-phenylethyl]furan-2,4-dicarboxamide
CID 146434124
4-N-(1-hydroxypropan-2-yl)-2-N-methyl-5-[(1S)-1-phenylethyl]furan-2,4-dicarboxamide
CID 146434341
2,5-dimethyl-N-[1-(tetrahydro-2-furanyl)ethyl]-3-furamide
CID 6467087
ethyl 5-[(2R,3S,4R)-3,4-dihydroxypyrrolidin-2-yl]-2-methyl-3-furoate
CID 513279
5-[(2R,3S,4R)-3,4-dihydroxypyrrolidin-2-yl]-N,N-diethyl-2-methyl-3-furamide
CID 513280
ethyl 5-[(2S,3S,4R)-3,4-dihydroxypyrrolidin-2-yl]-2-methyl-3-furoate
CID 513282
5-(3,4-Dihydroxy-pyrrolidin-2-yl)-2-methyl-furan-3-carboxylic acid ethyl ester
CID 44314837
5-(3,4-Dihydroxy-pyrrolidin-2-yl)-2-methyl-furan-3-carboxylic acid diethylamide
CID 44314838
5-(3,4-Dihydroxy-pyrrolidin-2-yl)-2-methyl-furan-3-carboxylic acid isopropylamide
CID 44314840
5-(3,4-Dihydroxy-pyrrolidin-2-yl)-2-methyl-furan-3-carboxylic acid ethylamide
CID 44319670
5-(3,4-Dihydroxy-pyrrolidin-2-yl)-2-methyl-furan-3-carboxylic acid isopropyl ester
CID 44319797
5-(3,4-Dihydroxy-pyrrolidin-2-yl)-2-methyl-furan-3-carboxylic acid methyl ester
CID 44319808

Frequently Asked Questions

What is the IUPAC name of 5-[(2R,3S,4R)-3,4-dihydroxypyrrolidin-2-yl]-2-methyl-N-propan-2-ylfuran-3-carboxamide?
The IUPAC name of 5-[(2R,3S,4R)-3,4-dihydroxypyrrolidin-2-yl]-2-methyl-N-propan-2-ylfuran-3-carboxamide (CID 513281) is 5-[(2R,3S,4R)-3,4-dihydroxypyrrolidin-2-yl]-2-methyl-N-propan-2-ylfuran-3-carboxamide.
What is the SMILES notation for 5-[(2R,3S,4R)-3,4-dihydroxypyrrolidin-2-yl]-2-methyl-N-propan-2-ylfuran-3-carboxamide?
The canonical SMILES for 5-[(2R,3S,4R)-3,4-dihydroxypyrrolidin-2-yl]-2-methyl-N-propan-2-ylfuran-3-carboxamide is Cc1oc([C@@H]2NC[C@@H](O)[C@H]2O)cc1C(=O)NC(C)C.
What is the InChIKey of 5-[(2R,3S,4R)-3,4-dihydroxypyrrolidin-2-yl]-2-methyl-N-propan-2-ylfuran-3-carboxamide?
The InChIKey is VHRUAYMCMAKGDX-ADEWGFFLSA-N. The full InChI is InChI=1S/C13H20N2O4/c1-6(2)15-13(18)8-4-10(19-7(8)3)11-12(17)9(16)5-14-11/h4,6,9,11-12,14,16-17H,5H2,1-3H3,(H,15,18)/t9-,11+,12-/m1/s1.
What are the key properties of 5-[(2R,3S,4R)-3,4-dihydroxypyrrolidin-2-yl]-2-methyl-N-propan-2-ylfuran-3-carboxamide?
5-[(2R,3S,4R)-3,4-dihydroxypyrrolidin-2-yl]-2-methyl-N-propan-2-ylfuran-3-carboxamide has a molecular weight of 268.31 g/mol, XLogP of 0.09, 3 rotatable bonds, 4 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]-2-methyl-N-propan-2-ylfuran-3-carboxamide is sourced from PubChem (CID 513281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).