5-[[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]methyl]-1,3-oxazolidin-2-one

C8H14N2O4 — CID 115278418

IUPAC5-[[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]methyl]-1,3-oxazolidin-2-one
SMILESO=C1NCC(CN2C[C@@H](O)[C@@H](O)C2)O1
InChIInChI=1S/C8H14N2O4/c11-6-3-10(4-7(6)12)2-5-1-9-8(13)14-5/h5-7,11-12H,1-4H2,(H,9,13)/t5?,6-,7+
InChIKeyGFWNXDBAMKPIQR-DGUCWDHESA-N
MW202.21 g/mol
LogP-1.87
Rot. Bonds2

About 5-[[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]methyl]-1,3-oxazolidin-2-one

5-[[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]methyl]-1,3-oxazolidin-2-one (PubChem CID 115278418) has the molecular formula C8H14N2O4 and a molecular weight of 202.21 g/mol. Its IUPAC name is 5-[[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-[[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]methyl]-1,3-oxazolidin-2-one
PubChem CID115278418
Molecular FormulaC8H14N2O4
Molecular Weight202.21 g/mol
Exact Mass202.10
IUPAC Name5-[[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]methyl]-1,3-oxazolidin-2-one
SMILESO=C1NCC(CN2C[C@@H](O)[C@@H](O)C2)O1
InChIInChI=1S/C8H14N2O4/c11-6-3-10(4-7(6)12)2-5-1-9-8(13)14-5/h5-7,11-12H,1-4H2,(H,9,13)/t5?,6-,7+
InChIKeyGFWNXDBAMKPIQR-DGUCWDHESA-N
XLogP-1.87
TPSA82.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 5-1.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]methyl]-1,3-oxazolidin-2-one?
The IUPAC name of 5-[[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]methyl]-1,3-oxazolidin-2-one (CID 115278418) is 5-[[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-[[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 5-[[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]methyl]-1,3-oxazolidin-2-one is O=C1NCC(CN2C[C@@H](O)[C@@H](O)C2)O1.
What is the InChIKey of 5-[[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]methyl]-1,3-oxazolidin-2-one?
The InChIKey is GFWNXDBAMKPIQR-DGUCWDHESA-N. The full InChI is InChI=1S/C8H14N2O4/c11-6-3-10(4-7(6)12)2-5-1-9-8(13)14-5/h5-7,11-12H,1-4H2,(H,9,13)/t5?,6-,7+.
What are the key properties of 5-[[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]methyl]-1,3-oxazolidin-2-one?
5-[[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]methyl]-1,3-oxazolidin-2-one has a molecular weight of 202.21 g/mol, XLogP of -1.87, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 115278418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).