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

C5H9NO3 — CID 59039796

IUPAC(3R,4R)-3,4-dihydroxy-5-methylpyrrolidin-2-one
SMILESCC1NC(=O)[C@H](O)[C@@H]1O
InChIInChI=1S/C5H9NO3/c1-2-3(7)4(8)5(9)6-2/h2-4,7-8H,1H3,(H,6,9)/t2?,3-,4-/m1/s1
InChIKeyNEDRRRAQMUONRI-FJWSOENFSA-N
MW131.13 g/mol
LogP-1.77
Rot. Bonds

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

(3R,4R)-3,4-dihydroxy-5-methylpyrrolidin-2-one (PubChem CID 59039796) has the molecular formula C5H9NO3 and a molecular weight of 131.13 g/mol. Its IUPAC name is (3R,4R)-3,4-dihydroxy-5-methylpyrrolidin-2-one.

Molecular Properties

Compound Name(3R,4R)-3,4-dihydroxy-5-methylpyrrolidin-2-one
PubChem CID59039796
Molecular FormulaC5H9NO3
Molecular Weight131.13 g/mol
Exact Mass131.06
IUPAC Name(3R,4R)-3,4-dihydroxy-5-methylpyrrolidin-2-one
SMILESCC1NC(=O)[C@H](O)[C@@H]1O
InChIInChI=1S/C5H9NO3/c1-2-3(7)4(8)5(9)6-2/h2-4,7-8H,1H3,(H,6,9)/t2?,3-,4-/m1/s1
InChIKeyNEDRRRAQMUONRI-FJWSOENFSA-N
XLogP-1.77
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.13
LogP ≤ 5-1.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3,4-dihydroxy-5-methylpyrrolidin-2-one?
The IUPAC name of (3R,4R)-3,4-dihydroxy-5-methylpyrrolidin-2-one (CID 59039796) is (3R,4R)-3,4-dihydroxy-5-methylpyrrolidin-2-one.
What is the SMILES notation for (3R,4R)-3,4-dihydroxy-5-methylpyrrolidin-2-one?
The canonical SMILES for (3R,4R)-3,4-dihydroxy-5-methylpyrrolidin-2-one is CC1NC(=O)[C@H](O)[C@@H]1O.
What is the InChIKey of (3R,4R)-3,4-dihydroxy-5-methylpyrrolidin-2-one?
The InChIKey is NEDRRRAQMUONRI-FJWSOENFSA-N. The full InChI is InChI=1S/C5H9NO3/c1-2-3(7)4(8)5(9)6-2/h2-4,7-8H,1H3,(H,6,9)/t2?,3-,4-/m1/s1.
What are the key properties of (3R,4R)-3,4-dihydroxy-5-methylpyrrolidin-2-one?
(3R,4R)-3,4-dihydroxy-5-methylpyrrolidin-2-one has a molecular weight of 131.13 g/mol, XLogP of -1.77, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3,4-dihydroxy-5-methylpyrrolidin-2-one is sourced from PubChem (CID 59039796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).