3-ethyl-1-(2-fluorobenzoyl)pyrrolidine-3-carboxylic acid

C14H16FNO3 — CID 63146811

IUPAC3-ethyl-1-(2-fluorobenzoyl)pyrrolidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCN(C(=O)c2ccccc2F)C1
InChIInChI=1S/C14H16FNO3/c1-2-14(13(18)19)7-8-16(9-14)12(17)10-5-3-4-6-11(10)15/h3-6H,2,7-9H2,1H3,(H,18,19)
InChIKeySDKZTQPJTUADQB-UHFFFAOYSA-N
MW265.28 g/mol
LogP2.15
Rot. Bonds3

About 3-ethyl-1-(2-fluorobenzoyl)pyrrolidine-3-carboxylic acid

3-ethyl-1-(2-fluorobenzoyl)pyrrolidine-3-carboxylic acid (PubChem CID 63146811) has the molecular formula C14H16FNO3 and a molecular weight of 265.28 g/mol. Its IUPAC name is 3-ethyl-1-(2-fluorobenzoyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-ethyl-1-(2-fluorobenzoyl)pyrrolidine-3-carboxylic acid
PubChem CID63146811
Molecular FormulaC14H16FNO3
Molecular Weight265.28 g/mol
Exact Mass265.11
IUPAC Name3-ethyl-1-(2-fluorobenzoyl)pyrrolidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCN(C(=O)c2ccccc2F)C1
InChIInChI=1S/C14H16FNO3/c1-2-14(13(18)19)7-8-16(9-14)12(17)10-5-3-4-6-11(10)15/h3-6H,2,7-9H2,1H3,(H,18,19)
InChIKeySDKZTQPJTUADQB-UHFFFAOYSA-N
XLogP2.15
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-ethyl-1-(2-fluorobenzoyl)pyrrolidine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-chloro-3-fluorobenzoyl)-3-ethylpyrrolidine-3-carboxylic acid
CID 81454925
3-ethyl-1-(3-fluoropyridine-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 64949282
3-ethyl-1-(2-nitrobenzoyl)pyrrolidine-3-carboxylic acid
CID 63146682
3-ethyl-1-(5-fluoro-2-hydroxybenzoyl)pyrrolidine-3-carboxylic acid
CID 115298513
4-ethyl-1-(2-methylsulfanylbenzoyl)piperidine-4-carboxylic acid
CID 63125322
1-(3-chloro-4-fluorobenzoyl)-3-ethylpyrrolidine-3-carboxylic acid
CID 82875281
1-(2-chlorofuran-3-carbonyl)-3-ethylpyrrolidine-3-carboxylic acid
CID 106683456
1-(4-chloro-2-methoxybenzoyl)-3-ethylpyrrolidine-3-carboxylic acid
CID 63144862
1-(4-amino-3-fluorobenzoyl)-3-ethylpyrrolidine-3-carboxylic acid
CID 63188937
3-ethyl-1-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 104772680
1-(3-bromo-2-fluorobenzoyl)-3-propylpyrrolidine-3-carboxylic acid
CID 107949155
1-(4-bromo-2-fluorobenzoyl)-3-propylpyrrolidine-3-carboxylic acid
CID 63144760

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(2-fluorobenzoyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-ethyl-1-(2-fluorobenzoyl)pyrrolidine-3-carboxylic acid (CID 63146811) is 3-ethyl-1-(2-fluorobenzoyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-ethyl-1-(2-fluorobenzoyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-ethyl-1-(2-fluorobenzoyl)pyrrolidine-3-carboxylic acid is CCC1(C(=O)O)CCN(C(=O)c2ccccc2F)C1.
What is the InChIKey of 3-ethyl-1-(2-fluorobenzoyl)pyrrolidine-3-carboxylic acid?
The InChIKey is SDKZTQPJTUADQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO3/c1-2-14(13(18)19)7-8-16(9-14)12(17)10-5-3-4-6-11(10)15/h3-6H,2,7-9H2,1H3,(H,18,19).
What are the key properties of 3-ethyl-1-(2-fluorobenzoyl)pyrrolidine-3-carboxylic acid?
3-ethyl-1-(2-fluorobenzoyl)pyrrolidine-3-carboxylic acid has a molecular weight of 265.28 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(2-fluorobenzoyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63146811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).