3-ethyl-1-[(3-fluorophenyl)carbamoyl]pyrrolidine-3-carboxylic acid

C14H17FN2O3 — CID 63145789

IUPAC3-ethyl-1-[(3-fluorophenyl)carbamoyl]pyrrolidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCN(C(=O)Nc2cccc(F)c2)C1
InChIInChI=1S/C14H17FN2O3/c1-2-14(12(18)19)6-7-17(9-14)13(20)16-11-5-3-4-10(15)8-11/h3-5,8H,2,6-7,9H2,1H3,(H,16,20)(H,18,19)
InChIKeyVZPPFXDEQLZMDM-UHFFFAOYSA-N
MW280.30 g/mol
LogP2.54
Rot. Bonds3

About 3-ethyl-1-[(3-fluorophenyl)carbamoyl]pyrrolidine-3-carboxylic acid

3-ethyl-1-[(3-fluorophenyl)carbamoyl]pyrrolidine-3-carboxylic acid (PubChem CID 63145789) has the molecular formula C14H17FN2O3 and a molecular weight of 280.30 g/mol. Its IUPAC name is 3-ethyl-1-[(3-fluorophenyl)carbamoyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-ethyl-1-[(3-fluorophenyl)carbamoyl]pyrrolidine-3-carboxylic acid
PubChem CID63145789
Molecular FormulaC14H17FN2O3
Molecular Weight280.30 g/mol
Exact Mass280.12
IUPAC Name3-ethyl-1-[(3-fluorophenyl)carbamoyl]pyrrolidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCN(C(=O)Nc2cccc(F)c2)C1
InChIInChI=1S/C14H17FN2O3/c1-2-14(12(18)19)6-7-17(9-14)13(20)16-11-5-3-4-10(15)8-11/h3-5,8H,2,6-7,9H2,1H3,(H,16,20)(H,18,19)
InChIKeyVZPPFXDEQLZMDM-UHFFFAOYSA-N
XLogP2.54
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.30
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-ethyl-1-[(3-fluorophenyl)carbamoyl]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-[(3-chlorophenyl)carbamoyl]-3-ethylpyrrolidine-3-carboxylic acid
CID 63145655
1-[(2-chloro-5-fluorophenyl)carbamoyl]-3-ethylpyrrolidine-3-carboxylic acid
CID 107530107
1-[(2-bromo-5-fluorophenyl)carbamoyl]-3-ethylpyrrolidine-3-carboxylic acid
CID 107629009
4-ethyl-1-[(4-fluorophenyl)carbamoyl]piperidine-4-carboxylic acid
CID 63125610
N-(3-fluorophenyl)-4-hydroxy-4-pentylpiperidine-1-carboxamide
CID 23071817
N-(3-fluorophenyl)pyrrolidine-1-carboxamide
CID 6469622
3-ethyl-1-(5-fluoro-2-hydroxybenzoyl)pyrrolidine-3-carboxylic acid
CID 115298513
1-[(3-chlorophenyl)methylcarbamoyl]-3-ethylpyrrolidine-3-carboxylic acid
CID 63147580
3-ethyl-1-(methylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 63145543
4-butan-2-yl-N-(3-fluorophenyl)piperazine-1-carboxamide
CID 113104260
3-ethyl-1-(thiophen-3-ylcarbamoyl)piperidine-3-carboxylic acid
CID 66356081
(3S)-3-N-benzyl-1-N-(3-fluorophenyl)-3-methylpiperidine-1,3-dicarboxamide
CID 95088103

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-[(3-fluorophenyl)carbamoyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-ethyl-1-[(3-fluorophenyl)carbamoyl]pyrrolidine-3-carboxylic acid (CID 63145789) is 3-ethyl-1-[(3-fluorophenyl)carbamoyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-ethyl-1-[(3-fluorophenyl)carbamoyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-ethyl-1-[(3-fluorophenyl)carbamoyl]pyrrolidine-3-carboxylic acid is CCC1(C(=O)O)CCN(C(=O)Nc2cccc(F)c2)C1.
What is the InChIKey of 3-ethyl-1-[(3-fluorophenyl)carbamoyl]pyrrolidine-3-carboxylic acid?
The InChIKey is VZPPFXDEQLZMDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O3/c1-2-14(12(18)19)6-7-17(9-14)13(20)16-11-5-3-4-10(15)8-11/h3-5,8H,2,6-7,9H2,1H3,(H,16,20)(H,18,19).
What are the key properties of 3-ethyl-1-[(3-fluorophenyl)carbamoyl]pyrrolidine-3-carboxylic acid?
3-ethyl-1-[(3-fluorophenyl)carbamoyl]pyrrolidine-3-carboxylic acid has a molecular weight of 280.30 g/mol, XLogP of 2.54, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-[(3-fluorophenyl)carbamoyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63145789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).