(3R,5R)-3,5-dihydroxy-1-[3-(hydroxymethyl)-2,5-dihydrofuran-2-yl]pyrrolidin-2-one

C9H13NO5 — CID 14779023

IUPAC(3R,5R)-3,5-dihydroxy-1-[3-(hydroxymethyl)-2,5-dihydrofuran-2-yl]pyrrolidin-2-one
SMILESO=C1[C@H](O)C[C@@H](O)N1C1OCC=C1CO
InChIInChI=1S/C9H13NO5/c11-4-5-1-2-15-9(5)10-7(13)3-6(12)8(10)14/h1,6-7,9,11-13H,2-4H2/t6-,7-,9?/m1/s1
InChIKeyUQDNRNARHGVYKC-UMPGHQJDSA-N
MW215.20 g/mol
LogP-1.83
Rot. Bonds2

About (3R,5R)-3,5-dihydroxy-1-[3-(hydroxymethyl)-2,5-dihydrofuran-2-yl]pyrrolidin-2-one

(3R,5R)-3,5-dihydroxy-1-[3-(hydroxymethyl)-2,5-dihydrofuran-2-yl]pyrrolidin-2-one (PubChem CID 14779023) has the molecular formula C9H13NO5 and a molecular weight of 215.20 g/mol. Its IUPAC name is (3R,5R)-3,5-dihydroxy-1-[3-(hydroxymethyl)-2,5-dihydrofuran-2-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name(3R,5R)-3,5-dihydroxy-1-[3-(hydroxymethyl)-2,5-dihydrofuran-2-yl]pyrrolidin-2-one
PubChem CID14779023
Molecular FormulaC9H13NO5
Molecular Weight215.20 g/mol
Exact Mass215.08
IUPAC Name(3R,5R)-3,5-dihydroxy-1-[3-(hydroxymethyl)-2,5-dihydrofuran-2-yl]pyrrolidin-2-one
SMILESO=C1[C@H](O)C[C@@H](O)N1C1OCC=C1CO
InChIInChI=1S/C9H13NO5/c11-4-5-1-2-15-9(5)10-7(13)3-6(12)8(10)14/h1,6-7,9,11-13H,2-4H2/t6-,7-,9?/m1/s1
InChIKeyUQDNRNARHGVYKC-UMPGHQJDSA-N
XLogP-1.83
TPSA90.23 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.20
LogP ≤ 5-1.83
H-Bond Donors ≤ 53
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 (3R,5R)-3,5-dihydroxy-1-[3-(hydroxymethyl)-2,5-dihydrofuran-2-yl]pyrrolidin-2-one?
The IUPAC name of (3R,5R)-3,5-dihydroxy-1-[3-(hydroxymethyl)-2,5-dihydrofuran-2-yl]pyrrolidin-2-one (CID 14779023) is (3R,5R)-3,5-dihydroxy-1-[3-(hydroxymethyl)-2,5-dihydrofuran-2-yl]pyrrolidin-2-one.
What is the SMILES notation for (3R,5R)-3,5-dihydroxy-1-[3-(hydroxymethyl)-2,5-dihydrofuran-2-yl]pyrrolidin-2-one?
The canonical SMILES for (3R,5R)-3,5-dihydroxy-1-[3-(hydroxymethyl)-2,5-dihydrofuran-2-yl]pyrrolidin-2-one is O=C1[C@H](O)C[C@@H](O)N1C1OCC=C1CO.
What is the InChIKey of (3R,5R)-3,5-dihydroxy-1-[3-(hydroxymethyl)-2,5-dihydrofuran-2-yl]pyrrolidin-2-one?
The InChIKey is UQDNRNARHGVYKC-UMPGHQJDSA-N. The full InChI is InChI=1S/C9H13NO5/c11-4-5-1-2-15-9(5)10-7(13)3-6(12)8(10)14/h1,6-7,9,11-13H,2-4H2/t6-,7-,9?/m1/s1.
What are the key properties of (3R,5R)-3,5-dihydroxy-1-[3-(hydroxymethyl)-2,5-dihydrofuran-2-yl]pyrrolidin-2-one?
(3R,5R)-3,5-dihydroxy-1-[3-(hydroxymethyl)-2,5-dihydrofuran-2-yl]pyrrolidin-2-one has a molecular weight of 215.20 g/mol, XLogP of -1.83, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-3,5-dihydroxy-1-[3-(hydroxymethyl)-2,5-dihydrofuran-2-yl]pyrrolidin-2-one is sourced from PubChem (CID 14779023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).