5-(dihydroxymethyl)-3,4-dihydroxypyrrolidin-2-one

C5H9NO5 — CID 151073859

IUPAC5-(dihydroxymethyl)-3,4-dihydroxypyrrolidin-2-one
SMILESO=C1NC(C(O)O)C(O)C1O
InChIInChI=1S/C5H9NO5/c7-2-1(5(10)11)6-4(9)3(2)8/h1-3,5,7-8,10-11H,(H,6,9)
InChIKeyMIRQLPXAUWVXRS-UHFFFAOYSA-N
MW163.13 g/mol
LogP-3.48
Rot. Bonds1

About 5-(dihydroxymethyl)-3,4-dihydroxypyrrolidin-2-one

5-(dihydroxymethyl)-3,4-dihydroxypyrrolidin-2-one (PubChem CID 151073859) has the molecular formula C5H9NO5 and a molecular weight of 163.13 g/mol. Its IUPAC name is 5-(dihydroxymethyl)-3,4-dihydroxypyrrolidin-2-one.

Molecular Properties

Compound Name5-(dihydroxymethyl)-3,4-dihydroxypyrrolidin-2-one
PubChem CID151073859
Molecular FormulaC5H9NO5
Molecular Weight163.13 g/mol
Exact Mass163.05
IUPAC Name5-(dihydroxymethyl)-3,4-dihydroxypyrrolidin-2-one
SMILESO=C1NC(C(O)O)C(O)C1O
InChIInChI=1S/C5H9NO5/c7-2-1(5(10)11)6-4(9)3(2)8/h1-3,5,7-8,10-11H,(H,6,9)
InChIKeyMIRQLPXAUWVXRS-UHFFFAOYSA-N
XLogP-3.48
TPSA110.02 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.13
LogP ≤ 5-3.48
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(4R,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)piperidin-2-one
CID 172642030
3,4,5-trihydroxy-6-(hydroxymethyl)piperidin-2-one
CID 5018466
methyl 3,4,5-trihydroxy-6-oxopiperidine-2-carboxylate
CID 130020032
(3R,4R)-3,4-dihydroxypyrrolidine-2,5-dione
CID 126575623
3,4,5-trihydroxypiperidin-2-one
CID 14867232
3-hydroxy-4-propan-2-ylpyrrolidine-2,5-dione
CID 59887449
(3R,4S,5S,6R,10R,11S,12S,17R,18S,19S,20R,24R,25S,26S,27R,31R,32S,33S,34R,38R,39S,40S,41R,45R,46S,47S,48R,52R,53S,54S,55R)-3,4,5,6,10,11,12,13,17,18,19,20,24,25,26,27,31,32,33,34,38,39,40,41,45,46,47,48,52,53,54,55-dotriacontahydroxy-1,8,15,22,29,36,43,50-octazacyclohexapentacontane-2,9,16,23,30,37,44,51-octone
CID 177404320
2-[(2S,3R)-3-[(1S)-1-hydroxyethyl]-4-oxoazetidin-2-yl]propanoic acid
CID 175279308
2-[(2S,3R)-3-[(1R)-1-hydroxyethyl]-4-oxoazetidin-2-yl]propanoic acid
CID 175279299
(3R)-3-hydroxypyrrolidin-2-one
CID 641547
3,4-dihydroxy-5-methylpiperidin-2-one
CID 71438218
3-(3-fluoro-2-hydroxypropyl)pyrrolidin-2-one
CID 130843908

Frequently Asked Questions

What is the IUPAC name of 5-(dihydroxymethyl)-3,4-dihydroxypyrrolidin-2-one?
The IUPAC name of 5-(dihydroxymethyl)-3,4-dihydroxypyrrolidin-2-one (CID 151073859) is 5-(dihydroxymethyl)-3,4-dihydroxypyrrolidin-2-one.
What is the SMILES notation for 5-(dihydroxymethyl)-3,4-dihydroxypyrrolidin-2-one?
The canonical SMILES for 5-(dihydroxymethyl)-3,4-dihydroxypyrrolidin-2-one is O=C1NC(C(O)O)C(O)C1O.
What is the InChIKey of 5-(dihydroxymethyl)-3,4-dihydroxypyrrolidin-2-one?
The InChIKey is MIRQLPXAUWVXRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO5/c7-2-1(5(10)11)6-4(9)3(2)8/h1-3,5,7-8,10-11H,(H,6,9).
What are the key properties of 5-(dihydroxymethyl)-3,4-dihydroxypyrrolidin-2-one?
5-(dihydroxymethyl)-3,4-dihydroxypyrrolidin-2-one has a molecular weight of 163.13 g/mol, XLogP of -3.48, 1 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dihydroxymethyl)-3,4-dihydroxypyrrolidin-2-one is sourced from PubChem (CID 151073859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).