4-[(3S,4R)-3,4-dihydroxypyrrolidine-1-carbonyl]-1-methylpyridin-2-one

C11H14N2O4 — CID 79411364

IUPAC4-[(3S,4R)-3,4-dihydroxypyrrolidine-1-carbonyl]-1-methylpyridin-2-one
SMILESCn1ccc(C(=O)N2C[C@@H](O)[C@@H](O)C2)cc1=O
InChIInChI=1S/C11H14N2O4/c1-12-3-2-7(4-10(12)16)11(17)13-5-8(14)9(15)6-13/h2-4,8-9,14-15H,5-6H2,1H3/t8-,9+
InChIKeyLFYNGBKBUAWZCW-DTORHVGOSA-N
MW238.24 g/mol
LogP-1.44
Rot. Bonds1

About 4-[(3S,4R)-3,4-dihydroxypyrrolidine-1-carbonyl]-1-methylpyridin-2-one

4-[(3S,4R)-3,4-dihydroxypyrrolidine-1-carbonyl]-1-methylpyridin-2-one (PubChem CID 79411364) has the molecular formula C11H14N2O4 and a molecular weight of 238.24 g/mol. Its IUPAC name is 4-[(3S,4R)-3,4-dihydroxypyrrolidine-1-carbonyl]-1-methylpyridin-2-one.

Molecular Properties

Compound Name4-[(3S,4R)-3,4-dihydroxypyrrolidine-1-carbonyl]-1-methylpyridin-2-one
PubChem CID79411364
Molecular FormulaC11H14N2O4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC Name4-[(3S,4R)-3,4-dihydroxypyrrolidine-1-carbonyl]-1-methylpyridin-2-one
SMILESCn1ccc(C(=O)N2C[C@@H](O)[C@@H](O)C2)cc1=O
InChIInChI=1S/C11H14N2O4/c1-12-3-2-7(4-10(12)16)11(17)13-5-8(14)9(15)6-13/h2-4,8-9,14-15H,5-6H2,1H3/t8-,9+
InChIKeyLFYNGBKBUAWZCW-DTORHVGOSA-N
XLogP-1.44
TPSA82.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 5-1.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(1-methyl-2-oxopyridine-4-carbonyl)azetidin-3-yl]acetic acid
CID 64605969
4-(3-amino-3-cyclopropylazetidine-1-carbonyl)-1-methylpyridin-2-one
CID 114039965
1-methyl-4-[4-(methylamino)piperidine-1-carbonyl]pyridin-2-one
CID 113263745
4-(4-amino-3-methylpiperidine-1-carbonyl)-1-methylpyridin-2-one
CID 113263748
4-[3-(diethylamino)pyrrolidine-1-carbonyl]-1-methylpyridin-2-one
CID 103709456
4-(3-methoxypiperidine-1-carbonyl)-1-methylpyridin-2-one
CID 113231198
4-(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)-1-methylpyridin-2-one
CID 55243953
4-[3-(aminomethyl)piperidine-1-carbonyl]-1-methylpyridin-2-one
CID 103793640
4-[4-[2-(dimethylamino)ethyl]piperazine-1-carbonyl]-1-methylpyridin-2-one
CID 75460696
4-[3-(1-aminoethyl)piperidine-1-carbonyl]-1-methylpyridin-2-one
CID 103793684
4-(3-ethoxypiperidine-1-carbonyl)-1-methylpyridin-2-one
CID 47736704
4-(2,5-dimethylmorpholine-4-carbonyl)-1-methylpyridin-2-one
CID 103612536

Frequently Asked Questions

What is the IUPAC name of 4-[(3S,4R)-3,4-dihydroxypyrrolidine-1-carbonyl]-1-methylpyridin-2-one?
The IUPAC name of 4-[(3S,4R)-3,4-dihydroxypyrrolidine-1-carbonyl]-1-methylpyridin-2-one (CID 79411364) is 4-[(3S,4R)-3,4-dihydroxypyrrolidine-1-carbonyl]-1-methylpyridin-2-one.
What is the SMILES notation for 4-[(3S,4R)-3,4-dihydroxypyrrolidine-1-carbonyl]-1-methylpyridin-2-one?
The canonical SMILES for 4-[(3S,4R)-3,4-dihydroxypyrrolidine-1-carbonyl]-1-methylpyridin-2-one is Cn1ccc(C(=O)N2C[C@@H](O)[C@@H](O)C2)cc1=O.
What is the InChIKey of 4-[(3S,4R)-3,4-dihydroxypyrrolidine-1-carbonyl]-1-methylpyridin-2-one?
The InChIKey is LFYNGBKBUAWZCW-DTORHVGOSA-N. The full InChI is InChI=1S/C11H14N2O4/c1-12-3-2-7(4-10(12)16)11(17)13-5-8(14)9(15)6-13/h2-4,8-9,14-15H,5-6H2,1H3/t8-,9+.
What are the key properties of 4-[(3S,4R)-3,4-dihydroxypyrrolidine-1-carbonyl]-1-methylpyridin-2-one?
4-[(3S,4R)-3,4-dihydroxypyrrolidine-1-carbonyl]-1-methylpyridin-2-one has a molecular weight of 238.24 g/mol, XLogP of -1.44, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3S,4R)-3,4-dihydroxypyrrolidine-1-carbonyl]-1-methylpyridin-2-one is sourced from PubChem (CID 79411364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).