2-(2-cyclopropylphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxylic acid

C17H21NO3 — CID 79972285

IUPAC2-(2-cyclopropylphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxylic acid
SMILESCC(C)N1C(=O)CC(C(=O)O)C1c1ccccc1C1CC1
InChIInChI=1S/C17H21NO3/c1-10(2)18-15(19)9-14(17(20)21)16(18)13-6-4-3-5-12(13)11-7-8-11/h3-6,10-11,14,16H,7-9H2,1-2H3,(H,20,21)
InChIKeyGWFVGODHMRGFGN-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.95
Rot. Bonds4

About 2-(2-cyclopropylphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxylic acid

2-(2-cyclopropylphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxylic acid (PubChem CID 79972285) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-(2-cyclopropylphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name2-(2-cyclopropylphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxylic acid
PubChem CID79972285
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Name2-(2-cyclopropylphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxylic acid
SMILESCC(C)N1C(=O)CC(C(=O)O)C1c1ccccc1C1CC1
InChIInChI=1S/C17H21NO3/c1-10(2)18-15(19)9-14(17(20)21)16(18)13-6-4-3-5-12(13)11-7-8-11/h3-6,10-11,14,16H,7-9H2,1-2H3,(H,20,21)
InChIKeyGWFVGODHMRGFGN-UHFFFAOYSA-N
XLogP2.95
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-ethoxyphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxylic acid
CID 63379248
(2R,3S)-5-oxo-1-propan-2-yl-2-pyridin-2-ylpyrrolidine-3-carboxylic acid
CID 51970559
2-(3-fluorophenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxylic acid
CID 63379294
(2S,3R)-1-[(2R)-butan-2-yl]-5-oxo-2-phenylpyrrolidine-3-carboxylic acid
CID 94217803
2-(4-ethoxyphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxylic acid
CID 63379249
2-(2-ethylpyrazol-3-yl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxylic acid
CID 114557623
(2R,3S)-2-(2-methoxyphenyl)-1-methyl-5-oxopyrrolidine-3-carboxylic acid
CID 51970481
5-amino-6-(2-cyclopropylphenyl)-1-methylpiperidin-2-one
CID 79977730
(2R,3S)-1-(2-methylpropyl)-5-oxo-2-phenylpyrrolidine-3-carboxylic acid
CID 94217785
4-oxo-1-propan-2-ylazetidine-2-carboxylic acid
CID 84650541
(2S,3R)-5-oxo-3-phenyl-4-propan-2-ylmorpholine-2-carboxylic acid
CID 139598441
1-ethyl-5-oxo-2-phenylpyrrolidine-3-carboxylic acid
CID 13361997

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopropylphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxylic acid?
The IUPAC name of 2-(2-cyclopropylphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxylic acid (CID 79972285) is 2-(2-cyclopropylphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 2-(2-cyclopropylphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 2-(2-cyclopropylphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxylic acid is CC(C)N1C(=O)CC(C(=O)O)C1c1ccccc1C1CC1.
What is the InChIKey of 2-(2-cyclopropylphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxylic acid?
The InChIKey is GWFVGODHMRGFGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3/c1-10(2)18-15(19)9-14(17(20)21)16(18)13-6-4-3-5-12(13)11-7-8-11/h3-6,10-11,14,16H,7-9H2,1-2H3,(H,20,21).
What are the key properties of 2-(2-cyclopropylphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxylic acid?
2-(2-cyclopropylphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxylic acid has a molecular weight of 287.36 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopropylphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 79972285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).