1-[ethyl-(4-fluorophenyl)carbamoyl]-3-methylpyrrolidine-2-carboxylic acid

C15H19FN2O3 — CID 102782434

IUPAC1-[ethyl-(4-fluorophenyl)carbamoyl]-3-methylpyrrolidine-2-carboxylic acid
SMILESCCN(C(=O)N1CCC(C)C1C(=O)O)c1ccc(F)cc1
InChIInChI=1S/C15H19FN2O3/c1-3-17(12-6-4-11(16)5-7-12)15(21)18-9-8-10(2)13(18)14(19)20/h4-7,10,13H,3,8-9H2,1-2H3,(H,19,20)
InChIKeyHUEYZGGEUJVWFZ-UHFFFAOYSA-N
MW294.33 g/mol
LogP2.57
Rot. Bonds3

About 1-[ethyl-(4-fluorophenyl)carbamoyl]-3-methylpyrrolidine-2-carboxylic acid

1-[ethyl-(4-fluorophenyl)carbamoyl]-3-methylpyrrolidine-2-carboxylic acid (PubChem CID 102782434) has the molecular formula C15H19FN2O3 and a molecular weight of 294.33 g/mol. Its IUPAC name is 1-[ethyl-(4-fluorophenyl)carbamoyl]-3-methylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[ethyl-(4-fluorophenyl)carbamoyl]-3-methylpyrrolidine-2-carboxylic acid
PubChem CID102782434
Molecular FormulaC15H19FN2O3
Molecular Weight294.33 g/mol
Exact Mass294.14
IUPAC Name1-[ethyl-(4-fluorophenyl)carbamoyl]-3-methylpyrrolidine-2-carboxylic acid
SMILESCCN(C(=O)N1CCC(C)C1C(=O)O)c1ccc(F)cc1
InChIInChI=1S/C15H19FN2O3/c1-3-17(12-6-4-11(16)5-7-12)15(21)18-9-8-10(2)13(18)14(19)20/h4-7,10,13H,3,8-9H2,1-2H3,(H,19,20)
InChIKeyHUEYZGGEUJVWFZ-UHFFFAOYSA-N
XLogP2.57
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(4-fluorophenyl)sulfanylacetyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102775403
1-[(3-fluorophenyl)-methylcarbamoyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102782431
3-methyl-1-propanoylpyrrolidine-2-carboxylic acid
CID 102775238
(2S,3S)-3-methyl-1-propanoylpyrrolidine-2-carboxylic acid
CID 130192166
3-methyl-1-[methyl(2-phenylethyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 102782826
2-[1-[ethyl-(4-fluorophenyl)carbamoyl]azetidin-3-yl]acetic acid
CID 64618666
1-[ethyl(2-methylprop-2-enyl)carbamoyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102781591
1-(4-fluoro-2-methylbenzoyl)-3-methylpyrrolidine-2-carboxylic acid
CID 102775873
N-ethyl-N-(4-fluorophenyl)cyclobutanecarboxamide
CID 39964862
(2S)-1-[ethyl(phenyl)carbamoyl]piperidine-2-carboxylic acid
CID 59546398
1-[cyclopropyl(ethyl)carbamoyl]-3-methylpiperidine-2-carboxylic acid
CID 107071301
1-[3-(dimethylamino)propyl-methylcarbamoyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102782672

Frequently Asked Questions

What is the IUPAC name of 1-[ethyl-(4-fluorophenyl)carbamoyl]-3-methylpyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[ethyl-(4-fluorophenyl)carbamoyl]-3-methylpyrrolidine-2-carboxylic acid (CID 102782434) is 1-[ethyl-(4-fluorophenyl)carbamoyl]-3-methylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[ethyl-(4-fluorophenyl)carbamoyl]-3-methylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[ethyl-(4-fluorophenyl)carbamoyl]-3-methylpyrrolidine-2-carboxylic acid is CCN(C(=O)N1CCC(C)C1C(=O)O)c1ccc(F)cc1.
What is the InChIKey of 1-[ethyl-(4-fluorophenyl)carbamoyl]-3-methylpyrrolidine-2-carboxylic acid?
The InChIKey is HUEYZGGEUJVWFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O3/c1-3-17(12-6-4-11(16)5-7-12)15(21)18-9-8-10(2)13(18)14(19)20/h4-7,10,13H,3,8-9H2,1-2H3,(H,19,20).
What are the key properties of 1-[ethyl-(4-fluorophenyl)carbamoyl]-3-methylpyrrolidine-2-carboxylic acid?
1-[ethyl-(4-fluorophenyl)carbamoyl]-3-methylpyrrolidine-2-carboxylic acid has a molecular weight of 294.33 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[ethyl-(4-fluorophenyl)carbamoyl]-3-methylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 102782434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).