(3R,4R,5R)-3,4-dihydroxy-5-(methoxymethyl)-1-methylpyrrolidin-2-one

C7H13NO4 — CID 130918283

IUPAC(3R,4R,5R)-3,4-dihydroxy-5-(methoxymethyl)-1-methylpyrrolidin-2-one
SMILESCOC[C@@H]1[C@@H](O)[C@@H](O)C(=O)N1C
InChIInChI=1S/C7H13NO4/c1-8-4(3-12-2)5(9)6(10)7(8)11/h4-6,9-10H,3H2,1-2H3/t4-,5-,6-/m1/s1
InChIKeyMZBLGVXNRXGGKS-HSUXUTPPSA-N
MW175.18 g/mol
LogP-1.80
Rot. Bonds2

About (3R,4R,5R)-3,4-dihydroxy-5-(methoxymethyl)-1-methylpyrrolidin-2-one

(3R,4R,5R)-3,4-dihydroxy-5-(methoxymethyl)-1-methylpyrrolidin-2-one (PubChem CID 130918283) has the molecular formula C7H13NO4 and a molecular weight of 175.18 g/mol. Its IUPAC name is (3R,4R,5R)-3,4-dihydroxy-5-(methoxymethyl)-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name(3R,4R,5R)-3,4-dihydroxy-5-(methoxymethyl)-1-methylpyrrolidin-2-one
PubChem CID130918283
Molecular FormulaC7H13NO4
Molecular Weight175.18 g/mol
Exact Mass175.08
IUPAC Name(3R,4R,5R)-3,4-dihydroxy-5-(methoxymethyl)-1-methylpyrrolidin-2-one
SMILESCOC[C@@H]1[C@@H](O)[C@@H](O)C(=O)N1C
InChIInChI=1S/C7H13NO4/c1-8-4(3-12-2)5(9)6(10)7(8)11/h4-6,9-10H,3H2,1-2H3/t4-,5-,6-/m1/s1
InChIKeyMZBLGVXNRXGGKS-HSUXUTPPSA-N
XLogP-1.80
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.18
LogP ≤ 5-1.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3R,4R,5R)-3,4-dihydroxy-5-(methoxymethyl)-1-methylpyrrolidin-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

Frequently Asked Questions

What is the IUPAC name of (3R,4R,5R)-3,4-dihydroxy-5-(methoxymethyl)-1-methylpyrrolidin-2-one?
The IUPAC name of (3R,4R,5R)-3,4-dihydroxy-5-(methoxymethyl)-1-methylpyrrolidin-2-one (CID 130918283) is (3R,4R,5R)-3,4-dihydroxy-5-(methoxymethyl)-1-methylpyrrolidin-2-one.
What is the SMILES notation for (3R,4R,5R)-3,4-dihydroxy-5-(methoxymethyl)-1-methylpyrrolidin-2-one?
The canonical SMILES for (3R,4R,5R)-3,4-dihydroxy-5-(methoxymethyl)-1-methylpyrrolidin-2-one is COC[C@@H]1[C@@H](O)[C@@H](O)C(=O)N1C.
What is the InChIKey of (3R,4R,5R)-3,4-dihydroxy-5-(methoxymethyl)-1-methylpyrrolidin-2-one?
The InChIKey is MZBLGVXNRXGGKS-HSUXUTPPSA-N. The full InChI is InChI=1S/C7H13NO4/c1-8-4(3-12-2)5(9)6(10)7(8)11/h4-6,9-10H,3H2,1-2H3/t4-,5-,6-/m1/s1.
What are the key properties of (3R,4R,5R)-3,4-dihydroxy-5-(methoxymethyl)-1-methylpyrrolidin-2-one?
(3R,4R,5R)-3,4-dihydroxy-5-(methoxymethyl)-1-methylpyrrolidin-2-one has a molecular weight of 175.18 g/mol, XLogP of -1.80, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R,5R)-3,4-dihydroxy-5-(methoxymethyl)-1-methylpyrrolidin-2-one is sourced from PubChem (CID 130918283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).