1-[2-(3,4-dihydroxypyrrolidin-1-yl)-2-oxoethyl]pyrrolidin-2-one

C10H16N2O4 — CID 106671974

IUPAC1-[2-(3,4-dihydroxypyrrolidin-1-yl)-2-oxoethyl]pyrrolidin-2-one
SMILESO=C1CCCN1CC(=O)N1CC(O)C(O)C1
InChIInChI=1S/C10H16N2O4/c13-7-4-12(5-8(7)14)10(16)6-11-3-1-2-9(11)15/h7-8,13-14H,1-6H2
InChIKeyWRMUBYYJIXYQPY-UHFFFAOYSA-N
MW228.25 g/mol
LogP-1.83
Rot. Bonds2

About 1-[2-(3,4-dihydroxypyrrolidin-1-yl)-2-oxoethyl]pyrrolidin-2-one

1-[2-(3,4-dihydroxypyrrolidin-1-yl)-2-oxoethyl]pyrrolidin-2-one (PubChem CID 106671974) has the molecular formula C10H16N2O4 and a molecular weight of 228.25 g/mol. Its IUPAC name is 1-[2-(3,4-dihydroxypyrrolidin-1-yl)-2-oxoethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-(3,4-dihydroxypyrrolidin-1-yl)-2-oxoethyl]pyrrolidin-2-one
PubChem CID106671974
Molecular FormulaC10H16N2O4
Molecular Weight228.25 g/mol
Exact Mass228.11
IUPAC Name1-[2-(3,4-dihydroxypyrrolidin-1-yl)-2-oxoethyl]pyrrolidin-2-one
SMILESO=C1CCCN1CC(=O)N1CC(O)C(O)C1
InChIInChI=1S/C10H16N2O4/c13-7-4-12(5-8(7)14)10(16)6-11-3-1-2-9(11)15/h7-8,13-14H,1-6H2
InChIKeyWRMUBYYJIXYQPY-UHFFFAOYSA-N
XLogP-1.83
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 5-1.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(2-oxopyrrolidin-1-yl)acetyl]piperidine-4-carboxamide
CID 110689906
1-[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]piperidin-2-one
CID 62024110
1-[2-[(1S,5S)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-2-oxoethyl]pyrrolidin-2-one;hydrochloride
CID 154908225
1-[2-(4-amino-3-methylpiperidin-1-yl)-2-oxoethyl]pyrrolidin-2-one
CID 79868594
1-[2-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-oxoethyl]pyrrolidin-2-one
CID 63263320
1-[2-[(2R,6R)-2-methyl-6-phenylmorpholin-4-yl]-2-oxoethyl]pyrrolidin-2-one
CID 95145336
methyl 1-[2-(2-oxopyrrolidin-1-yl)acetyl]pyrrolidine-3-carboxylate
CID 112733697
2-(2-oxopyrrolidin-1-yl)ethanethioic S-acid
CID 57303794
2-methyl-2-[1-[2-(2-oxopyrrolidin-1-yl)acetyl]piperidin-3-yl]propanoic acid
CID 83198658
1-(2-oxo-2-piperazin-1-ylethyl)piperidin-2-one
CID 28824712
4-hydroxy-1-[2-(2-oxopyrrolidin-1-yl)acetyl]pyrrolidine-2-carboxylic acid
CID 43211150
1-[2-oxo-2-[(3R)-3-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]pyrrolidin-2-one
CID 95761166

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4-dihydroxypyrrolidin-1-yl)-2-oxoethyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-(3,4-dihydroxypyrrolidin-1-yl)-2-oxoethyl]pyrrolidin-2-one (CID 106671974) is 1-[2-(3,4-dihydroxypyrrolidin-1-yl)-2-oxoethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-(3,4-dihydroxypyrrolidin-1-yl)-2-oxoethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-(3,4-dihydroxypyrrolidin-1-yl)-2-oxoethyl]pyrrolidin-2-one is O=C1CCCN1CC(=O)N1CC(O)C(O)C1.
What is the InChIKey of 1-[2-(3,4-dihydroxypyrrolidin-1-yl)-2-oxoethyl]pyrrolidin-2-one?
The InChIKey is WRMUBYYJIXYQPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O4/c13-7-4-12(5-8(7)14)10(16)6-11-3-1-2-9(11)15/h7-8,13-14H,1-6H2.
What are the key properties of 1-[2-(3,4-dihydroxypyrrolidin-1-yl)-2-oxoethyl]pyrrolidin-2-one?
1-[2-(3,4-dihydroxypyrrolidin-1-yl)-2-oxoethyl]pyrrolidin-2-one has a molecular weight of 228.25 g/mol, XLogP of -1.83, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,4-dihydroxypyrrolidin-1-yl)-2-oxoethyl]pyrrolidin-2-one is sourced from PubChem (CID 106671974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).