4-hydroxy-1-(1-hydroxy-4-methylsulfanylbutan-2-yl)pyrrolidin-2-one

C9H17NO3S — CID 168701588

IUPAC4-hydroxy-1-(1-hydroxy-4-methylsulfanylbutan-2-yl)pyrrolidin-2-one
SMILESCSCCC(CO)N1CC(O)CC1=O
InChIInChI=1S/C9H17NO3S/c1-14-3-2-7(6-11)10-5-8(12)4-9(10)13/h7-8,11-12H,2-6H2,1H3
InChIKeyGDTKOGKUKZMUDN-UHFFFAOYSA-N
MW219.31 g/mol
LogP-0.31
Rot. Bonds5

About 4-hydroxy-1-(1-hydroxy-4-methylsulfanylbutan-2-yl)pyrrolidin-2-one

4-hydroxy-1-(1-hydroxy-4-methylsulfanylbutan-2-yl)pyrrolidin-2-one (PubChem CID 168701588) has the molecular formula C9H17NO3S and a molecular weight of 219.31 g/mol. Its IUPAC name is 4-hydroxy-1-(1-hydroxy-4-methylsulfanylbutan-2-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-hydroxy-1-(1-hydroxy-4-methylsulfanylbutan-2-yl)pyrrolidin-2-one
PubChem CID168701588
Molecular FormulaC9H17NO3S
Molecular Weight219.31 g/mol
Exact Mass219.09
IUPAC Name4-hydroxy-1-(1-hydroxy-4-methylsulfanylbutan-2-yl)pyrrolidin-2-one
SMILESCSCCC(CO)N1CC(O)CC1=O
InChIInChI=1S/C9H17NO3S/c1-14-3-2-7(6-11)10-5-8(12)4-9(10)13/h7-8,11-12H,2-6H2,1H3
InChIKeyGDTKOGKUKZMUDN-UHFFFAOYSA-N
XLogP-0.31
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-hydroxy-1-(1-hydroxybutan-2-yl)pyrrolidin-2-one
CID 130995183
4-ethynyl-1-(1-hydroxy-4-methylsulfanylbutan-2-yl)pyrrolidin-2-one
CID 168500024
4-hydroxy-1-octan-4-ylpyrrolidin-2-one
CID 106021146
1-(1,3-dihydroxypropan-2-yl)-4-sulfanylpyrrolidin-2-one
CID 168709223
4-hydroxy-1-(3-hydroxy-3-methylbutan-2-yl)pyrrolidin-2-one
CID 127013544
4-amino-1-[(2R)-1-hydroxybutan-2-yl]pyrrolidin-2-one
CID 130617471
1-[(2S)-1-hydroxybutan-2-yl]-5-oxopyrrolidine-3-carboxylic acid
CID 168690219
methyl 1-(1-hydroxybutan-2-yl)-5-oxopyrrolidine-3-carboxylate
CID 168692637
2-(4-hydroxy-2-oxopyrrolidin-1-yl)-3-methylpentanoic acid
CID 168701417
(2R)-2-(4-hydroxy-2-oxopyrrolidin-1-yl)-3-sulfanylpropanoic acid
CID 168701722
(2S)-2-(4-carbamoyl-2-oxopyrrolidin-1-yl)-4-methylsulfanylbutanoic acid
CID 168695770
(2S)-4-methylsulfanyl-2-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]butanoic acid
CID 168680339

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-(1-hydroxy-4-methylsulfanylbutan-2-yl)pyrrolidin-2-one?
The IUPAC name of 4-hydroxy-1-(1-hydroxy-4-methylsulfanylbutan-2-yl)pyrrolidin-2-one (CID 168701588) is 4-hydroxy-1-(1-hydroxy-4-methylsulfanylbutan-2-yl)pyrrolidin-2-one.
What is the SMILES notation for 4-hydroxy-1-(1-hydroxy-4-methylsulfanylbutan-2-yl)pyrrolidin-2-one?
The canonical SMILES for 4-hydroxy-1-(1-hydroxy-4-methylsulfanylbutan-2-yl)pyrrolidin-2-one is CSCCC(CO)N1CC(O)CC1=O.
What is the InChIKey of 4-hydroxy-1-(1-hydroxy-4-methylsulfanylbutan-2-yl)pyrrolidin-2-one?
The InChIKey is GDTKOGKUKZMUDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3S/c1-14-3-2-7(6-11)10-5-8(12)4-9(10)13/h7-8,11-12H,2-6H2,1H3.
What are the key properties of 4-hydroxy-1-(1-hydroxy-4-methylsulfanylbutan-2-yl)pyrrolidin-2-one?
4-hydroxy-1-(1-hydroxy-4-methylsulfanylbutan-2-yl)pyrrolidin-2-one has a molecular weight of 219.31 g/mol, XLogP of -0.31, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-(1-hydroxy-4-methylsulfanylbutan-2-yl)pyrrolidin-2-one is sourced from PubChem (CID 168701588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).