3,4-dihydroxy-1-(2-hydroxyethyl)pyrrolidin-2-one

C6H11NO4 — CID 123921476

IUPAC3,4-dihydroxy-1-(2-hydroxyethyl)pyrrolidin-2-one
SMILESO=C1C(O)C(O)CN1CCO
InChIInChI=1S/C6H11NO4/c8-2-1-7-3-4(9)5(10)6(7)11/h4-5,8-10H,1-3H2
InChIKeyDPCNEKRNKKGBGJ-UHFFFAOYSA-N
MW161.16 g/mol
LogP-2.46
Rot. Bonds2

About 3,4-dihydroxy-1-(2-hydroxyethyl)pyrrolidin-2-one

3,4-dihydroxy-1-(2-hydroxyethyl)pyrrolidin-2-one (PubChem CID 123921476) has the molecular formula C6H11NO4 and a molecular weight of 161.16 g/mol. Its IUPAC name is 3,4-dihydroxy-1-(2-hydroxyethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name3,4-dihydroxy-1-(2-hydroxyethyl)pyrrolidin-2-one
PubChem CID123921476
Molecular FormulaC6H11NO4
Molecular Weight161.16 g/mol
Exact Mass161.07
IUPAC Name3,4-dihydroxy-1-(2-hydroxyethyl)pyrrolidin-2-one
SMILESO=C1C(O)C(O)CN1CCO
InChIInChI=1S/C6H11NO4/c8-2-1-7-3-4(9)5(10)6(7)11/h4-5,8-10H,1-3H2
InChIKeyDPCNEKRNKKGBGJ-UHFFFAOYSA-N
XLogP-2.46
TPSA81.00 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 5-2.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(3S,4R,5R)-3,4,5-trihydroxy-1-(2-hydroxyethyl)piperidin-2-one
CID 44566015
(3R,4S,5S,6R)-3,4,5,6-tetrahydroxy-1-(6-hydroxyhexyl)azepan-2-one
CID 57338756
(3R,4R,5R)-1-butyl-3,4,5-trihydroxypiperidin-2-one
CID 101481394
1-(2-hydroxyethyl)-4-sulfanylpyrrolidin-2-one
CID 168709345
1,4-bis(2-hydroxyethyl)piperazine-2,5-dione
CID 15646785
3-ethenyl-1-(2-hydroxyethyl)pyrrolidin-2-one;hydrate
CID 175014118
1-(2-hydroxyethyl)-4-methylpyrrolidin-2-one
CID 63100627
(4R)-1-(2-hydroxyethyl)-4-methylpyrrolidin-2-one
CID 170372384
(3S)-3-amino-1-(2-hydroxyethyl)pyrrolidin-2-one;hydrochloride
CID 67416985
(3aR,6aR)-5-(2-hydroxyethyl)-3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrole-1,3-dione
CID 129495804
(3aR,7aR)-2-(2-hydroxyethyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 98050631
5-amino-1-(2-hydroxyethyl)piperidin-2-one;hydrochloride
CID 69008245

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydroxy-1-(2-hydroxyethyl)pyrrolidin-2-one?
The IUPAC name of 3,4-dihydroxy-1-(2-hydroxyethyl)pyrrolidin-2-one (CID 123921476) is 3,4-dihydroxy-1-(2-hydroxyethyl)pyrrolidin-2-one.
What is the SMILES notation for 3,4-dihydroxy-1-(2-hydroxyethyl)pyrrolidin-2-one?
The canonical SMILES for 3,4-dihydroxy-1-(2-hydroxyethyl)pyrrolidin-2-one is O=C1C(O)C(O)CN1CCO.
What is the InChIKey of 3,4-dihydroxy-1-(2-hydroxyethyl)pyrrolidin-2-one?
The InChIKey is DPCNEKRNKKGBGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO4/c8-2-1-7-3-4(9)5(10)6(7)11/h4-5,8-10H,1-3H2.
What are the key properties of 3,4-dihydroxy-1-(2-hydroxyethyl)pyrrolidin-2-one?
3,4-dihydroxy-1-(2-hydroxyethyl)pyrrolidin-2-one has a molecular weight of 161.16 g/mol, XLogP of -2.46, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydroxy-1-(2-hydroxyethyl)pyrrolidin-2-one is sourced from PubChem (CID 123921476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).