2-ethyl-1-(2-fluoro-3-methylbenzoyl)pyrrolidine-2-carboxylic acid

C15H18FNO3 — CID 83075485

IUPAC2-ethyl-1-(2-fluoro-3-methylbenzoyl)pyrrolidine-2-carboxylic acid
SMILESCCC1(C(=O)O)CCCN1C(=O)c1cccc(C)c1F
InChIInChI=1S/C15H18FNO3/c1-3-15(14(19)20)8-5-9-17(15)13(18)11-7-4-6-10(2)12(11)16/h4,6-7H,3,5,8-9H2,1-2H3,(H,19,20)
InChIKeyBBLJDZIGLQNWHM-UHFFFAOYSA-N
MW279.31 g/mol
LogP2.60
Rot. Bonds3

About 2-ethyl-1-(2-fluoro-3-methylbenzoyl)pyrrolidine-2-carboxylic acid

2-ethyl-1-(2-fluoro-3-methylbenzoyl)pyrrolidine-2-carboxylic acid (PubChem CID 83075485) has the molecular formula C15H18FNO3 and a molecular weight of 279.31 g/mol. Its IUPAC name is 2-ethyl-1-(2-fluoro-3-methylbenzoyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-1-(2-fluoro-3-methylbenzoyl)pyrrolidine-2-carboxylic acid
PubChem CID83075485
Molecular FormulaC15H18FNO3
Molecular Weight279.31 g/mol
Exact Mass279.13
IUPAC Name2-ethyl-1-(2-fluoro-3-methylbenzoyl)pyrrolidine-2-carboxylic acid
SMILESCCC1(C(=O)O)CCCN1C(=O)c1cccc(C)c1F
InChIInChI=1S/C15H18FNO3/c1-3-15(14(19)20)8-5-9-17(15)13(18)11-7-4-6-10(2)12(11)16/h4,6-7H,3,5,8-9H2,1-2H3,(H,19,20)
InChIKeyBBLJDZIGLQNWHM-UHFFFAOYSA-N
XLogP2.60
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-1-(2-methylpyridine-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 83076124
1-(3-bromo-2-fluorobenzoyl)-2-propylpyrrolidine-2-carboxylic acid
CID 107949526
2-ethyl-1-(1H-indole-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 83059198
1-(4-amino-2-fluorobenzoyl)-2-ethylpyrrolidine-2-carboxylic acid
CID 107794821
2-ethyl-1-(2-hydroxy-5-methylbenzoyl)pyrrolidine-2-carboxylic acid
CID 83075957
1-(2-chloro-4,5-difluorobenzoyl)-2-ethylpyrrolidine-2-carboxylic acid
CID 83059029
1-(1,3-dimethylpyrazole-4-carbonyl)-2-ethylpyrrolidine-2-carboxylic acid
CID 102801358
1-(2-amino-5-methylbenzoyl)-2-ethylpyrrolidine-2-carboxylic acid
CID 83070726
2-ethyl-1-(3-ethyl-6-methylpyridazine-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 104669960
1-[(3-chloro-2-fluorophenyl)carbamoyl]-2-ethylpyrrolidine-2-carboxylic acid
CID 83065147
2-ethyl-1-(1,2-oxazole-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 83075548
1-(2-fluoro-4-methylbenzoyl)-2-propylpyrrolidine-2-carboxylic acid
CID 106977024

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(2-fluoro-3-methylbenzoyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 2-ethyl-1-(2-fluoro-3-methylbenzoyl)pyrrolidine-2-carboxylic acid (CID 83075485) is 2-ethyl-1-(2-fluoro-3-methylbenzoyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 2-ethyl-1-(2-fluoro-3-methylbenzoyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 2-ethyl-1-(2-fluoro-3-methylbenzoyl)pyrrolidine-2-carboxylic acid is CCC1(C(=O)O)CCCN1C(=O)c1cccc(C)c1F.
What is the InChIKey of 2-ethyl-1-(2-fluoro-3-methylbenzoyl)pyrrolidine-2-carboxylic acid?
The InChIKey is BBLJDZIGLQNWHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO3/c1-3-15(14(19)20)8-5-9-17(15)13(18)11-7-4-6-10(2)12(11)16/h4,6-7H,3,5,8-9H2,1-2H3,(H,19,20).
What are the key properties of 2-ethyl-1-(2-fluoro-3-methylbenzoyl)pyrrolidine-2-carboxylic acid?
2-ethyl-1-(2-fluoro-3-methylbenzoyl)pyrrolidine-2-carboxylic acid has a molecular weight of 279.31 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(2-fluoro-3-methylbenzoyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 83075485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).