2-(4-hydroxy-2-oxopyrrolidin-1-yl)-3-methylpentanoic acid

C10H17NO4 — CID 168701417

IUPAC2-(4-hydroxy-2-oxopyrrolidin-1-yl)-3-methylpentanoic acid
SMILESCCC(C)C(C(=O)O)N1CC(O)CC1=O
InChIInChI=1S/C10H17NO4/c1-3-6(2)9(10(14)15)11-5-7(12)4-8(11)13/h6-7,9,12H,3-5H2,1-2H3,(H,14,15)
InChIKeyXJDSIJHDGSRACO-UHFFFAOYSA-N
MW215.25 g/mol
LogP0.08
Rot. Bonds4

About 2-(4-hydroxy-2-oxopyrrolidin-1-yl)-3-methylpentanoic acid

2-(4-hydroxy-2-oxopyrrolidin-1-yl)-3-methylpentanoic acid (PubChem CID 168701417) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is 2-(4-hydroxy-2-oxopyrrolidin-1-yl)-3-methylpentanoic acid.

Molecular Properties

Compound Name2-(4-hydroxy-2-oxopyrrolidin-1-yl)-3-methylpentanoic acid
PubChem CID168701417
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Name2-(4-hydroxy-2-oxopyrrolidin-1-yl)-3-methylpentanoic acid
SMILESCCC(C)C(C(=O)O)N1CC(O)CC1=O
InChIInChI=1S/C10H17NO4/c1-3-6(2)9(10(14)15)11-5-7(12)4-8(11)13/h6-7,9,12H,3-5H2,1-2H3,(H,14,15)
InChIKeyXJDSIJHDGSRACO-UHFFFAOYSA-N
XLogP0.08
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,3S)-3-methyl-2-(2-oxo-4-sulfanylpyrrolidin-1-yl)pentanoic acid
CID 168707525
(2R,3S)-2-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]-3-methylpentanoic acid
CID 168506448
(2R,3S)-3-methyl-2-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]pentanoic acid
CID 168680118
(2S,3S)-3-methyl-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)pentanoic acid
CID 168716361
4-hydroxy-1-(1-hydroxybutan-2-yl)pyrrolidin-2-one
CID 130995183
2-(4-hydroxy-2-oxopyrrolidin-1-yl)octanoic acid
CID 168701551
(2R)-2-(4-hydroxy-2-oxopyrrolidin-1-yl)-3-sulfanylpropanoic acid
CID 168701722
(2S,3S)-3-methyl-2-(2-oxoimidazolidin-1-yl)pentanoic acid
CID 67409048
3-methyl-2-(3-methylazetidin-1-yl)pentanoic acid
CID 79687657
4-hydroxy-1-(3-hydroxy-3-methylbutan-2-yl)pyrrolidin-2-one
CID 127013544
(2S)-2-(4-amino-2-oxopyrrolidin-1-yl)-3-methylbutanoic acid
CID 168698750
3-hydroxy-2-[2-oxo-4-(sulfanylmethyl)pyrrolidin-1-yl]butanoic acid
CID 168669110

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxy-2-oxopyrrolidin-1-yl)-3-methylpentanoic acid?
The IUPAC name of 2-(4-hydroxy-2-oxopyrrolidin-1-yl)-3-methylpentanoic acid (CID 168701417) is 2-(4-hydroxy-2-oxopyrrolidin-1-yl)-3-methylpentanoic acid.
What is the SMILES notation for 2-(4-hydroxy-2-oxopyrrolidin-1-yl)-3-methylpentanoic acid?
The canonical SMILES for 2-(4-hydroxy-2-oxopyrrolidin-1-yl)-3-methylpentanoic acid is CCC(C)C(C(=O)O)N1CC(O)CC1=O.
What is the InChIKey of 2-(4-hydroxy-2-oxopyrrolidin-1-yl)-3-methylpentanoic acid?
The InChIKey is XJDSIJHDGSRACO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO4/c1-3-6(2)9(10(14)15)11-5-7(12)4-8(11)13/h6-7,9,12H,3-5H2,1-2H3,(H,14,15).
What are the key properties of 2-(4-hydroxy-2-oxopyrrolidin-1-yl)-3-methylpentanoic acid?
2-(4-hydroxy-2-oxopyrrolidin-1-yl)-3-methylpentanoic acid has a molecular weight of 215.25 g/mol, XLogP of 0.08, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxy-2-oxopyrrolidin-1-yl)-3-methylpentanoic acid is sourced from PubChem (CID 168701417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).