(3R,4R)-3,4-dimethoxypyrrolidin-2-one

C6H11NO3 — CID 141034155

IUPAC(3R,4R)-3,4-dimethoxypyrrolidin-2-one
SMILESCO[C@@H]1CNC(=O)[C@@H]1OC
InChIInChI=1S/C6H11NO3/c1-9-4-3-7-6(8)5(4)10-2/h4-5H,3H2,1-2H3,(H,7,8)/t4-,5-/m1/s1
InChIKeyRKMINCOBVILLJT-RFZPGFLSSA-N
MW145.16 g/mol
LogP-0.85
Rot. Bonds2

About (3R,4R)-3,4-dimethoxypyrrolidin-2-one

(3R,4R)-3,4-dimethoxypyrrolidin-2-one (PubChem CID 141034155) has the molecular formula C6H11NO3 and a molecular weight of 145.16 g/mol. Its IUPAC name is (3R,4R)-3,4-dimethoxypyrrolidin-2-one.

Molecular Properties

Compound Name(3R,4R)-3,4-dimethoxypyrrolidin-2-one
PubChem CID141034155
Molecular FormulaC6H11NO3
Molecular Weight145.16 g/mol
Exact Mass145.07
IUPAC Name(3R,4R)-3,4-dimethoxypyrrolidin-2-one
SMILESCO[C@@H]1CNC(=O)[C@@H]1OC
InChIInChI=1S/C6H11NO3/c1-9-4-3-7-6(8)5(4)10-2/h4-5H,3H2,1-2H3,(H,7,8)/t4-,5-/m1/s1
InChIKeyRKMINCOBVILLJT-RFZPGFLSSA-N
XLogP-0.85
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 5-0.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3R,4R)-3,4-dimethoxypyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-Hydroxy-3,4-dihydro-2H-pyrrol-3-yl acetate
CID 12365590
4-Methoxypyrrolidin-2-one
CID 22627013
2-Oxopyrrolidin-3-yl acetate
CID 20452404
[(3S)-5-oxopyrrolidin-3-yl] acetate
CID 126551320
3,4-Dimethoxypyrrolin-2-one
CID 22926297
4-Carboxymethoxypyrrolidone
CID 134821209
(3R,4S)-3,4-dimethoxypyrrolidin-2-one
CID 134850659
[(3R)-5-oxopyrrolidin-3-yl] acetate
CID 10441804
(S)-4-(tert-Butoxy)pyrrolidin-2-one
CID 10888164
3-(Ethoxymethoxy)pyrrolidin-2-one
CID 19043580
3-Methoxypyrrolidin-2-one
CID 19894871
2-Pyrrolidon-3-yl Thioacetate
CID 21291364

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3,4-dimethoxypyrrolidin-2-one?
The IUPAC name of (3R,4R)-3,4-dimethoxypyrrolidin-2-one (CID 141034155) is (3R,4R)-3,4-dimethoxypyrrolidin-2-one.
What is the SMILES notation for (3R,4R)-3,4-dimethoxypyrrolidin-2-one?
The canonical SMILES for (3R,4R)-3,4-dimethoxypyrrolidin-2-one is CO[C@@H]1CNC(=O)[C@@H]1OC.
What is the InChIKey of (3R,4R)-3,4-dimethoxypyrrolidin-2-one?
The InChIKey is RKMINCOBVILLJT-RFZPGFLSSA-N. The full InChI is InChI=1S/C6H11NO3/c1-9-4-3-7-6(8)5(4)10-2/h4-5H,3H2,1-2H3,(H,7,8)/t4-,5-/m1/s1.
What are the key properties of (3R,4R)-3,4-dimethoxypyrrolidin-2-one?
(3R,4R)-3,4-dimethoxypyrrolidin-2-one has a molecular weight of 145.16 g/mol, XLogP of -0.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3,4-dimethoxypyrrolidin-2-one is sourced from PubChem (CID 141034155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).