1-methyl-5-oxo-4-propan-2-ylpyrrolidine-2-carboxylic acid

C9H15NO3 — CID 115016869

IUPAC1-methyl-5-oxo-4-propan-2-ylpyrrolidine-2-carboxylic acid
SMILESCC(C)C1CC(C(=O)O)N(C)C1=O
InChIInChI=1S/C9H15NO3/c1-5(2)6-4-7(9(12)13)10(3)8(6)11/h5-7H,4H2,1-3H3,(H,12,13)
InChIKeyPFOKMMLTHVTYCI-UHFFFAOYSA-N
MW185.22 g/mol
LogP0.57
Rot. Bonds2

About 1-methyl-5-oxo-4-propan-2-ylpyrrolidine-2-carboxylic acid

1-methyl-5-oxo-4-propan-2-ylpyrrolidine-2-carboxylic acid (PubChem CID 115016869) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is 1-methyl-5-oxo-4-propan-2-ylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-methyl-5-oxo-4-propan-2-ylpyrrolidine-2-carboxylic acid
PubChem CID115016869
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Name1-methyl-5-oxo-4-propan-2-ylpyrrolidine-2-carboxylic acid
SMILESCC(C)C1CC(C(=O)O)N(C)C1=O
InChIInChI=1S/C9H15NO3/c1-5(2)6-4-7(9(12)13)10(3)8(6)11/h5-7H,4H2,1-3H3,(H,12,13)
InChIKeyPFOKMMLTHVTYCI-UHFFFAOYSA-N
XLogP0.57
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-oxo-4-propan-2-ylpyrrolidine-2-carboxylic acid?
The IUPAC name of 1-methyl-5-oxo-4-propan-2-ylpyrrolidine-2-carboxylic acid (CID 115016869) is 1-methyl-5-oxo-4-propan-2-ylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-methyl-5-oxo-4-propan-2-ylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-methyl-5-oxo-4-propan-2-ylpyrrolidine-2-carboxylic acid is CC(C)C1CC(C(=O)O)N(C)C1=O.
What is the InChIKey of 1-methyl-5-oxo-4-propan-2-ylpyrrolidine-2-carboxylic acid?
The InChIKey is PFOKMMLTHVTYCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3/c1-5(2)6-4-7(9(12)13)10(3)8(6)11/h5-7H,4H2,1-3H3,(H,12,13).
What are the key properties of 1-methyl-5-oxo-4-propan-2-ylpyrrolidine-2-carboxylic acid?
1-methyl-5-oxo-4-propan-2-ylpyrrolidine-2-carboxylic acid has a molecular weight of 185.22 g/mol, XLogP of 0.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-oxo-4-propan-2-ylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 115016869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).