1-(2-hydroxy-4-methoxy-2-methylbutyl)-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione

C14H25NO4 — CID 106253733

IUPAC1-(2-hydroxy-4-methoxy-2-methylbutyl)-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione
SMILESCOCCC(C)(O)CN1C(=O)CC(C)(C(C)C)C1=O
InChIInChI=1S/C14H25NO4/c1-10(2)14(4)8-11(16)15(12(14)17)9-13(3,18)6-7-19-5/h10,18H,6-9H2,1-5H3
InChIKeyAXVCAXKAPPHEJR-UHFFFAOYSA-N
MW271.36 g/mol
LogP1.20
Rot. Bonds6

About 1-(2-hydroxy-4-methoxy-2-methylbutyl)-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione

1-(2-hydroxy-4-methoxy-2-methylbutyl)-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione (PubChem CID 106253733) has the molecular formula C14H25NO4 and a molecular weight of 271.36 g/mol. Its IUPAC name is 1-(2-hydroxy-4-methoxy-2-methylbutyl)-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(2-hydroxy-4-methoxy-2-methylbutyl)-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione
PubChem CID106253733
Molecular FormulaC14H25NO4
Molecular Weight271.36 g/mol
Exact Mass271.18
IUPAC Name1-(2-hydroxy-4-methoxy-2-methylbutyl)-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione
SMILESCOCCC(C)(O)CN1C(=O)CC(C)(C(C)C)C1=O
InChIInChI=1S/C14H25NO4/c1-10(2)14(4)8-11(16)15(12(14)17)9-13(3,18)6-7-19-5/h10,18H,6-9H2,1-5H3
InChIKeyAXVCAXKAPPHEJR-UHFFFAOYSA-N
XLogP1.20
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(2-hydroxy-4-methoxy-2-methylbutyl)-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 106253720
1-(2-hydroxy-4-methoxy-2-methylbutyl)-3-methylpyrrolidine-2,5-dione
CID 106253624
3,3-diethyl-1-(2-hydroxy-2-methylbutyl)pyrrolidine-2,5-dione
CID 65117523
4-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)butanoic acid
CID 43437456
1-[(1-hydroxycycloheptyl)methyl]-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione
CID 65122171
2-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)-N-propan-2-ylacetamide
CID 78899614
2-(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)acetamide
CID 71996959
1-(2-hydroxy-4-methoxy-2-methylbutyl)-3-(propan-2-ylamino)pyrrolidin-2-one
CID 106254215
1-(1-hydroxypropan-2-yl)-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione
CID 61208884
1-amino-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione
CID 83084913
3-(2-hydroxy-2-methylpentyl)-3-azaspiro[5.5]undecane-2,4-dione
CID 106291114
1,3-dimethyl-6-[(3-methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)methyl]pyrimidine-2,4-dione
CID 136526307

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-4-methoxy-2-methylbutyl)-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione?
The IUPAC name of 1-(2-hydroxy-4-methoxy-2-methylbutyl)-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione (CID 106253733) is 1-(2-hydroxy-4-methoxy-2-methylbutyl)-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-(2-hydroxy-4-methoxy-2-methylbutyl)-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione?
The canonical SMILES for 1-(2-hydroxy-4-methoxy-2-methylbutyl)-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione is COCCC(C)(O)CN1C(=O)CC(C)(C(C)C)C1=O.
What is the InChIKey of 1-(2-hydroxy-4-methoxy-2-methylbutyl)-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione?
The InChIKey is AXVCAXKAPPHEJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO4/c1-10(2)14(4)8-11(16)15(12(14)17)9-13(3,18)6-7-19-5/h10,18H,6-9H2,1-5H3.
What are the key properties of 1-(2-hydroxy-4-methoxy-2-methylbutyl)-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione?
1-(2-hydroxy-4-methoxy-2-methylbutyl)-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione has a molecular weight of 271.36 g/mol, XLogP of 1.20, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-4-methoxy-2-methylbutyl)-3-methyl-3-propan-2-ylpyrrolidine-2,5-dione is sourced from PubChem (CID 106253733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).