3-(3-methyl-2-oxo-3-phenylpyrrolidin-1-yl)piperidine-1-carboxylic acid

C17H22N2O3 — CID 138621589

IUPAC3-(3-methyl-2-oxo-3-phenylpyrrolidin-1-yl)piperidine-1-carboxylic acid
SMILESCC1(c2ccccc2)CCN(C2CCCN(C(=O)O)C2)C1=O
InChIInChI=1S/C17H22N2O3/c1-17(13-6-3-2-4-7-13)9-11-19(15(17)20)14-8-5-10-18(12-14)16(21)22/h2-4,6-7,14H,5,8-12H2,1H3,(H,21,22)
InChIKeyHLTWJYFLIWDJEV-UHFFFAOYSA-N
MW302.37 g/mol
LogP2.32
Rot. Bonds2

About 3-(3-methyl-2-oxo-3-phenylpyrrolidin-1-yl)piperidine-1-carboxylic acid

3-(3-methyl-2-oxo-3-phenylpyrrolidin-1-yl)piperidine-1-carboxylic acid (PubChem CID 138621589) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is 3-(3-methyl-2-oxo-3-phenylpyrrolidin-1-yl)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name3-(3-methyl-2-oxo-3-phenylpyrrolidin-1-yl)piperidine-1-carboxylic acid
PubChem CID138621589
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC Name3-(3-methyl-2-oxo-3-phenylpyrrolidin-1-yl)piperidine-1-carboxylic acid
SMILESCC1(c2ccccc2)CCN(C2CCCN(C(=O)O)C2)C1=O
InChIInChI=1S/C17H22N2O3/c1-17(13-6-3-2-4-7-13)9-11-19(15(17)20)14-8-5-10-18(12-14)16(21)22/h2-4,6-7,14H,5,8-12H2,1H3,(H,21,22)
InChIKeyHLTWJYFLIWDJEV-UHFFFAOYSA-N
XLogP2.32
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methyl-2-oxo-3-phenylpyrrolidin-1-yl)piperidine-1-carboxylic acid?
The IUPAC name of 3-(3-methyl-2-oxo-3-phenylpyrrolidin-1-yl)piperidine-1-carboxylic acid (CID 138621589) is 3-(3-methyl-2-oxo-3-phenylpyrrolidin-1-yl)piperidine-1-carboxylic acid.
What is the SMILES notation for 3-(3-methyl-2-oxo-3-phenylpyrrolidin-1-yl)piperidine-1-carboxylic acid?
The canonical SMILES for 3-(3-methyl-2-oxo-3-phenylpyrrolidin-1-yl)piperidine-1-carboxylic acid is CC1(c2ccccc2)CCN(C2CCCN(C(=O)O)C2)C1=O.
What is the InChIKey of 3-(3-methyl-2-oxo-3-phenylpyrrolidin-1-yl)piperidine-1-carboxylic acid?
The InChIKey is HLTWJYFLIWDJEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-17(13-6-3-2-4-7-13)9-11-19(15(17)20)14-8-5-10-18(12-14)16(21)22/h2-4,6-7,14H,5,8-12H2,1H3,(H,21,22).
What are the key properties of 3-(3-methyl-2-oxo-3-phenylpyrrolidin-1-yl)piperidine-1-carboxylic acid?
3-(3-methyl-2-oxo-3-phenylpyrrolidin-1-yl)piperidine-1-carboxylic acid has a molecular weight of 302.37 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methyl-2-oxo-3-phenylpyrrolidin-1-yl)piperidine-1-carboxylic acid is sourced from PubChem (CID 138621589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).