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

C7H13NO4 — CID 130147940

IUPAC3,4-dihydroxy-5-(methoxymethyl)-1-methylpyrrolidin-2-one
SMILESCOCC1C(O)C(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
InChIKeyMZBLGVXNRXGGKS-UHFFFAOYSA-N
MW175.18 g/mol
LogP-1.80
Rot. Bonds2

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

3,4-dihydroxy-5-(methoxymethyl)-1-methylpyrrolidin-2-one (PubChem CID 130147940) has the molecular formula C7H13NO4 and a molecular weight of 175.18 g/mol. Its IUPAC name is 3,4-dihydroxy-5-(methoxymethyl)-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name3,4-dihydroxy-5-(methoxymethyl)-1-methylpyrrolidin-2-one
PubChem CID130147940
Molecular FormulaC7H13NO4
Molecular Weight175.18 g/mol
Exact Mass175.08
IUPAC Name3,4-dihydroxy-5-(methoxymethyl)-1-methylpyrrolidin-2-one
SMILESCOCC1C(O)C(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
InChIKeyMZBLGVXNRXGGKS-UHFFFAOYSA-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

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Frequently Asked Questions

What is the IUPAC name of 3,4-dihydroxy-5-(methoxymethyl)-1-methylpyrrolidin-2-one?
The IUPAC name of 3,4-dihydroxy-5-(methoxymethyl)-1-methylpyrrolidin-2-one (CID 130147940) is 3,4-dihydroxy-5-(methoxymethyl)-1-methylpyrrolidin-2-one.
What is the SMILES notation for 3,4-dihydroxy-5-(methoxymethyl)-1-methylpyrrolidin-2-one?
The canonical SMILES for 3,4-dihydroxy-5-(methoxymethyl)-1-methylpyrrolidin-2-one is COCC1C(O)C(O)C(=O)N1C.
What is the InChIKey of 3,4-dihydroxy-5-(methoxymethyl)-1-methylpyrrolidin-2-one?
The InChIKey is MZBLGVXNRXGGKS-UHFFFAOYSA-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.
What are the key properties of 3,4-dihydroxy-5-(methoxymethyl)-1-methylpyrrolidin-2-one?
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 3,4-dihydroxy-5-(methoxymethyl)-1-methylpyrrolidin-2-one is sourced from PubChem (CID 130147940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).