1-[(2S)-1-hydroxy-3-methylbutan-2-yl]pyrrolidine-2,5-dione

C9H15NO3 — CID 11137821

IUPAC1-[(2S)-1-hydroxy-3-methylbutan-2-yl]pyrrolidine-2,5-dione
SMILESCC(C)[C@@H](CO)N1C(=O)CCC1=O
InChIInChI=1S/C9H15NO3/c1-6(2)7(5-11)10-8(12)3-4-9(10)13/h6-7,11H,3-5H2,1-2H3/t7-/m1/s1
InChIKeyXLYKDNOTDMGWRA-SSDOTTSWSA-N
MW185.22 g/mol
LogP0.15
Rot. Bonds3

About 1-[(2S)-1-hydroxy-3-methylbutan-2-yl]pyrrolidine-2,5-dione

1-[(2S)-1-hydroxy-3-methylbutan-2-yl]pyrrolidine-2,5-dione (PubChem CID 11137821) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is 1-[(2S)-1-hydroxy-3-methylbutan-2-yl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[(2S)-1-hydroxy-3-methylbutan-2-yl]pyrrolidine-2,5-dione
PubChem CID11137821
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Name1-[(2S)-1-hydroxy-3-methylbutan-2-yl]pyrrolidine-2,5-dione
SMILESCC(C)[C@@H](CO)N1C(=O)CCC1=O
InChIInChI=1S/C9H15NO3/c1-6(2)7(5-11)10-8(12)3-4-9(10)13/h6-7,11H,3-5H2,1-2H3/t7-/m1/s1
InChIKeyXLYKDNOTDMGWRA-SSDOTTSWSA-N
XLogP0.15
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

4-(Hydroxymethyl)-1-Isopropylpyrrolidin-2-One
CID 21331355
1-[(2R)-1-hydroxybutan-2-yl]pyrrolidine-2,5-dione
CID 57398560
1-[(1S)-1-(Hydroxymethyl)propyl]-2-pyrrolidinone
CID 11961406
1-[(2S)-1-hydroxypentan-2-yl]pyrrolidine-2,5-dione
CID 134877095
1-(1-Hydroxy-2-methylpropan-2-yl)pyrrolidin-2-one
CID 12351140
1-(1-Hydroxypropan-2-yl)pyrrolidin-2-one
CID 20492592
(4S)-4-(hydroxymethyl)-1-propan-2-ylpyrrolidin-2-one
CID 42259339
1-(1-Hydroxybutan-2-yl)pyrrolidin-2-one
CID 53434863
(S)-2-(2-oxopyrrolidin-1-yl)propyl alcohol
CID 53788886
N-[4-hydroxy-2-(3-methyl-2,5-dioxopyrrolidin-1-yl)butyl]-N-methylpropanamide
CID 58242289
1-(3-Hydroxypropyl)-3-methylpyrrolidine-2,5-dione
CID 58340901
1-(5-Hydroxypentan-2-yl)-3-methylpyrrolidine-2,5-dione
CID 58340932

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-1-hydroxy-3-methylbutan-2-yl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[(2S)-1-hydroxy-3-methylbutan-2-yl]pyrrolidine-2,5-dione (CID 11137821) is 1-[(2S)-1-hydroxy-3-methylbutan-2-yl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[(2S)-1-hydroxy-3-methylbutan-2-yl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[(2S)-1-hydroxy-3-methylbutan-2-yl]pyrrolidine-2,5-dione is CC(C)[C@@H](CO)N1C(=O)CCC1=O.
What is the InChIKey of 1-[(2S)-1-hydroxy-3-methylbutan-2-yl]pyrrolidine-2,5-dione?
The InChIKey is XLYKDNOTDMGWRA-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H15NO3/c1-6(2)7(5-11)10-8(12)3-4-9(10)13/h6-7,11H,3-5H2,1-2H3/t7-/m1/s1.
What are the key properties of 1-[(2S)-1-hydroxy-3-methylbutan-2-yl]pyrrolidine-2,5-dione?
1-[(2S)-1-hydroxy-3-methylbutan-2-yl]pyrrolidine-2,5-dione has a molecular weight of 185.22 g/mol, XLogP of 0.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-1-hydroxy-3-methylbutan-2-yl]pyrrolidine-2,5-dione is sourced from PubChem (CID 11137821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).