(3R,4R)-4-hydroxy-3-methoxypyrrolidin-2-one

C5H9NO3 — CID 141034153

IUPAC(3R,4R)-4-hydroxy-3-methoxypyrrolidin-2-one
SMILESCO[C@H]1C(=O)NC[C@H]1O
InChIInChI=1S/C5H9NO3/c1-9-4-3(7)2-6-5(4)8/h3-4,7H,2H2,1H3,(H,6,8)/t3-,4-/m1/s1
InChIKeyKCYXMBIUSMYJKQ-QWWZWVQMSA-N
MW131.13 g/mol
LogP-1.51
Rot. Bonds1

About (3R,4R)-4-hydroxy-3-methoxypyrrolidin-2-one

(3R,4R)-4-hydroxy-3-methoxypyrrolidin-2-one (PubChem CID 141034153) has the molecular formula C5H9NO3 and a molecular weight of 131.13 g/mol. Its IUPAC name is (3R,4R)-4-hydroxy-3-methoxypyrrolidin-2-one.

Molecular Properties

Compound Name(3R,4R)-4-hydroxy-3-methoxypyrrolidin-2-one
PubChem CID141034153
Molecular FormulaC5H9NO3
Molecular Weight131.13 g/mol
Exact Mass131.06
IUPAC Name(3R,4R)-4-hydroxy-3-methoxypyrrolidin-2-one
SMILESCO[C@H]1C(=O)NC[C@H]1O
InChIInChI=1S/C5H9NO3/c1-9-4-3(7)2-6-5(4)8/h3-4,7H,2H2,1H3,(H,6,8)/t3-,4-/m1/s1
InChIKeyKCYXMBIUSMYJKQ-QWWZWVQMSA-N
XLogP-1.51
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.13
LogP ≤ 5-1.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-Dihydroxy-3-methylpyrrolidin-2-one
CID 44406646
3,4-Dihydroxypyrrolidin-2-one
CID 21616978
3,4-Dimethoxypyrrolin-2-one
CID 22926297
4-Carboxymethoxypyrrolidone
CID 134821209
(3R,4S)-3,4-dimethoxypyrrolidin-2-one
CID 134850659
3-Methoxypyrrolidin-2-one
CID 19894871
(3R,4R)-3,4-Dihydroxypyrrolidin-2-one
CID 21813169
Actinium;3,4-dihydroxy-5-methylpyrrolidin-2-one
CID 22955420
actinium;(3R,4R)-3,4-dihydroxy-5-methylpyrrolidin-2-one
CID 59039795
(3R,4R)-3,4-dihydroxy-5-methylpyrrolidin-2-one
CID 59039796
(3R)-3-methoxypyrrolidin-2-one
CID 68350314
(3S)-3-methoxypyrrolidin-2-one
CID 68350315

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-hydroxy-3-methoxypyrrolidin-2-one?
The IUPAC name of (3R,4R)-4-hydroxy-3-methoxypyrrolidin-2-one (CID 141034153) is (3R,4R)-4-hydroxy-3-methoxypyrrolidin-2-one.
What is the SMILES notation for (3R,4R)-4-hydroxy-3-methoxypyrrolidin-2-one?
The canonical SMILES for (3R,4R)-4-hydroxy-3-methoxypyrrolidin-2-one is CO[C@H]1C(=O)NC[C@H]1O.
What is the InChIKey of (3R,4R)-4-hydroxy-3-methoxypyrrolidin-2-one?
The InChIKey is KCYXMBIUSMYJKQ-QWWZWVQMSA-N. The full InChI is InChI=1S/C5H9NO3/c1-9-4-3(7)2-6-5(4)8/h3-4,7H,2H2,1H3,(H,6,8)/t3-,4-/m1/s1.
What are the key properties of (3R,4R)-4-hydroxy-3-methoxypyrrolidin-2-one?
(3R,4R)-4-hydroxy-3-methoxypyrrolidin-2-one has a molecular weight of 131.13 g/mol, XLogP of -1.51, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-hydroxy-3-methoxypyrrolidin-2-one is sourced from PubChem (CID 141034153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).