3-methyl-5-oxo-3-(2-phenylethyl)pyrrolidine-2-carboxylic acid

C14H17NO3 — CID 105360048

IUPAC3-methyl-5-oxo-3-(2-phenylethyl)pyrrolidine-2-carboxylic acid
SMILESCC1(CCc2ccccc2)CC(=O)NC1C(=O)O
InChIInChI=1S/C14H17NO3/c1-14(8-7-10-5-3-2-4-6-10)9-11(16)15-12(14)13(17)18/h2-6,12H,7-9H2,1H3,(H,15,16)(H,17,18)
InChIKeyZLNBEUJSCKYZQO-UHFFFAOYSA-N
MW247.29 g/mol
LogP1.60
Rot. Bonds4

About 3-methyl-5-oxo-3-(2-phenylethyl)pyrrolidine-2-carboxylic acid

3-methyl-5-oxo-3-(2-phenylethyl)pyrrolidine-2-carboxylic acid (PubChem CID 105360048) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is 3-methyl-5-oxo-3-(2-phenylethyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name3-methyl-5-oxo-3-(2-phenylethyl)pyrrolidine-2-carboxylic acid
PubChem CID105360048
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name3-methyl-5-oxo-3-(2-phenylethyl)pyrrolidine-2-carboxylic acid
SMILESCC1(CCc2ccccc2)CC(=O)NC1C(=O)O
InChIInChI=1S/C14H17NO3/c1-14(8-7-10-5-3-2-4-6-10)9-11(16)15-12(14)13(17)18/h2-6,12H,7-9H2,1H3,(H,15,16)(H,17,18)
InChIKeyZLNBEUJSCKYZQO-UHFFFAOYSA-N
XLogP1.60
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 3-methyl-5-oxo-3-(2-phenylethyl)pyrrolidine-2-carboxylate
CID 105360348
5-ethyl-4-methyl-4-(2-phenylethyl)pyrrolidin-2-one
CID 66108510
3-(cyclobutylmethyl)-3-methyl-5-oxopyrrolidine-2-carboxylic acid
CID 105359808
3-methyl-5-oxo-3-pyridin-2-ylpyrrolidine-2-carboxylic acid
CID 105359777
3-oxo-8-phenyl-2-azaspiro[4.5]decane-1-carboxylic acid
CID 105359864
[(1R,2R)-2-methyl-2-(2-phenylethyl)cyclopropyl]methanol
CID 10535692
2-methyl-2-(2-phenylethyl)-1,3-thiazolidine-4-carboxylic acid
CID 80500608
cis-(2S,3S)-3-methyl-3-(2-phenylethyl)-2-(2,4,6-trimethylphenyl)sulfanylcyclobutan-1-one
CID 101065688
ethyl 3-benzyl-3-ethyl-5-oxopyrrolidine-2-carboxylate
CID 105360076
3-butan-2-yl-3-methyl-5-oxopyrrolidine-2-carboxylic acid
CID 105359974
3-(3-fluoro-4-methylphenyl)-3-methyl-5-oxopyrrolidine-2-carboxylic acid
CID 105359955
2-[2,5-dioxo-4-(2-phenylethyl)imidazolidin-4-yl]cyclopropane-1-carboxylic acid
CID 19702244

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-oxo-3-(2-phenylethyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 3-methyl-5-oxo-3-(2-phenylethyl)pyrrolidine-2-carboxylic acid (CID 105360048) is 3-methyl-5-oxo-3-(2-phenylethyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 3-methyl-5-oxo-3-(2-phenylethyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 3-methyl-5-oxo-3-(2-phenylethyl)pyrrolidine-2-carboxylic acid is CC1(CCc2ccccc2)CC(=O)NC1C(=O)O.
What is the InChIKey of 3-methyl-5-oxo-3-(2-phenylethyl)pyrrolidine-2-carboxylic acid?
The InChIKey is ZLNBEUJSCKYZQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c1-14(8-7-10-5-3-2-4-6-10)9-11(16)15-12(14)13(17)18/h2-6,12H,7-9H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 3-methyl-5-oxo-3-(2-phenylethyl)pyrrolidine-2-carboxylic acid?
3-methyl-5-oxo-3-(2-phenylethyl)pyrrolidine-2-carboxylic acid has a molecular weight of 247.29 g/mol, XLogP of 1.60, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-oxo-3-(2-phenylethyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 105360048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).