2-methyl-4-(2-methylpyrrolidin-1-yl)-4-oxo-2-propan-2-ylbutanoic acid

C13H23NO3 — CID 54882621

IUPAC2-methyl-4-(2-methylpyrrolidin-1-yl)-4-oxo-2-propan-2-ylbutanoic acid
SMILESCC1CCCN1C(=O)CC(C)(C(=O)O)C(C)C
InChIInChI=1S/C13H23NO3/c1-9(2)13(4,12(16)17)8-11(15)14-7-5-6-10(14)3/h9-10H,5-8H2,1-4H3,(H,16,17)
InChIKeyHFIXLHWOLJPHJO-UHFFFAOYSA-N
MW241.33 g/mol
LogP2.13
Rot. Bonds4

About 2-methyl-4-(2-methylpyrrolidin-1-yl)-4-oxo-2-propan-2-ylbutanoic acid

2-methyl-4-(2-methylpyrrolidin-1-yl)-4-oxo-2-propan-2-ylbutanoic acid (PubChem CID 54882621) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is 2-methyl-4-(2-methylpyrrolidin-1-yl)-4-oxo-2-propan-2-ylbutanoic acid.

Molecular Properties

Compound Name2-methyl-4-(2-methylpyrrolidin-1-yl)-4-oxo-2-propan-2-ylbutanoic acid
PubChem CID54882621
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Name2-methyl-4-(2-methylpyrrolidin-1-yl)-4-oxo-2-propan-2-ylbutanoic acid
SMILESCC1CCCN1C(=O)CC(C)(C(=O)O)C(C)C
InChIInChI=1S/C13H23NO3/c1-9(2)13(4,12(16)17)8-11(15)14-7-5-6-10(14)3/h9-10H,5-8H2,1-4H3,(H,16,17)
InChIKeyHFIXLHWOLJPHJO-UHFFFAOYSA-N
XLogP2.13
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(2-methylpyrrolidin-1-yl)-4-oxo-2-propan-2-ylbutanoic acid?
The IUPAC name of 2-methyl-4-(2-methylpyrrolidin-1-yl)-4-oxo-2-propan-2-ylbutanoic acid (CID 54882621) is 2-methyl-4-(2-methylpyrrolidin-1-yl)-4-oxo-2-propan-2-ylbutanoic acid.
What is the SMILES notation for 2-methyl-4-(2-methylpyrrolidin-1-yl)-4-oxo-2-propan-2-ylbutanoic acid?
The canonical SMILES for 2-methyl-4-(2-methylpyrrolidin-1-yl)-4-oxo-2-propan-2-ylbutanoic acid is CC1CCCN1C(=O)CC(C)(C(=O)O)C(C)C.
What is the InChIKey of 2-methyl-4-(2-methylpyrrolidin-1-yl)-4-oxo-2-propan-2-ylbutanoic acid?
The InChIKey is HFIXLHWOLJPHJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c1-9(2)13(4,12(16)17)8-11(15)14-7-5-6-10(14)3/h9-10H,5-8H2,1-4H3,(H,16,17).
What are the key properties of 2-methyl-4-(2-methylpyrrolidin-1-yl)-4-oxo-2-propan-2-ylbutanoic acid?
2-methyl-4-(2-methylpyrrolidin-1-yl)-4-oxo-2-propan-2-ylbutanoic acid has a molecular weight of 241.33 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(2-methylpyrrolidin-1-yl)-4-oxo-2-propan-2-ylbutanoic acid is sourced from PubChem (CID 54882621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).