4-hydroxy-1-(3-hydroxy-3-methylbutan-2-yl)pyrrolidin-2-one

C9H17NO3 — CID 127013544

IUPAC4-hydroxy-1-(3-hydroxy-3-methylbutan-2-yl)pyrrolidin-2-one
SMILESCC(N1CC(O)CC1=O)C(C)(C)O
InChIInChI=1S/C9H17NO3/c1-6(9(2,3)13)10-5-7(11)4-8(10)12/h6-7,11,13H,4-5H2,1-3H3
InChIKeyPJRYSQDQHOESJJ-UHFFFAOYSA-N
MW187.24 g/mol
LogP-0.26
Rot. Bonds2

About 4-hydroxy-1-(3-hydroxy-3-methylbutan-2-yl)pyrrolidin-2-one

4-hydroxy-1-(3-hydroxy-3-methylbutan-2-yl)pyrrolidin-2-one (PubChem CID 127013544) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is 4-hydroxy-1-(3-hydroxy-3-methylbutan-2-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-hydroxy-1-(3-hydroxy-3-methylbutan-2-yl)pyrrolidin-2-one
PubChem CID127013544
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Name4-hydroxy-1-(3-hydroxy-3-methylbutan-2-yl)pyrrolidin-2-one
SMILESCC(N1CC(O)CC1=O)C(C)(C)O
InChIInChI=1S/C9H17NO3/c1-6(9(2,3)13)10-5-7(11)4-8(10)12/h6-7,11,13H,4-5H2,1-3H3
InChIKeyPJRYSQDQHOESJJ-UHFFFAOYSA-N
XLogP-0.26
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-hydroxy-1-(1-hydroxybutan-2-yl)pyrrolidin-2-one
CID 130995183
2-(4-hydroxy-2-oxopyrrolidin-1-yl)-3-methylpentanoic acid
CID 168701417
1-(3,3-dimethylbutan-2-yl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 104830094
4-hydroxy-1-octan-4-ylpyrrolidin-2-one
CID 106021146
4-hydroxy-1-(1-hydroxy-4-methylsulfanylbutan-2-yl)pyrrolidin-2-one
CID 168701588
(2R)-2-(4-hydroxy-2-oxopyrrolidin-1-yl)-3-sulfanylpropanoic acid
CID 168701722
2-(4-hydroxy-2-oxopyrrolidin-1-yl)octanoic acid
CID 168701551
4-hydroxy-1-(4-propan-2-ylcyclohexyl)pyrrolidin-2-one
CID 168701862
2-(4-chlorophenyl)-2-(4-hydroxy-2-oxopyrrolidin-1-yl)acetic acid
CID 168701618
4-hydroxy-1-(1-pyridin-3-ylpropyl)pyrrolidin-2-one
CID 168701544
1-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-4-hydroxypyrrolidin-2-one
CID 107849713
4-hydroxy-1-nitrosopyrrolidin-2-one
CID 154728047

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-(3-hydroxy-3-methylbutan-2-yl)pyrrolidin-2-one?
The IUPAC name of 4-hydroxy-1-(3-hydroxy-3-methylbutan-2-yl)pyrrolidin-2-one (CID 127013544) is 4-hydroxy-1-(3-hydroxy-3-methylbutan-2-yl)pyrrolidin-2-one.
What is the SMILES notation for 4-hydroxy-1-(3-hydroxy-3-methylbutan-2-yl)pyrrolidin-2-one?
The canonical SMILES for 4-hydroxy-1-(3-hydroxy-3-methylbutan-2-yl)pyrrolidin-2-one is CC(N1CC(O)CC1=O)C(C)(C)O.
What is the InChIKey of 4-hydroxy-1-(3-hydroxy-3-methylbutan-2-yl)pyrrolidin-2-one?
The InChIKey is PJRYSQDQHOESJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-6(9(2,3)13)10-5-7(11)4-8(10)12/h6-7,11,13H,4-5H2,1-3H3.
What are the key properties of 4-hydroxy-1-(3-hydroxy-3-methylbutan-2-yl)pyrrolidin-2-one?
4-hydroxy-1-(3-hydroxy-3-methylbutan-2-yl)pyrrolidin-2-one has a molecular weight of 187.24 g/mol, XLogP of -0.26, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-(3-hydroxy-3-methylbutan-2-yl)pyrrolidin-2-one is sourced from PubChem (CID 127013544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).