1-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]pyrrole-2-carboxylic acid

C14H13FN2O3 — CID 79325322

IUPAC1-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]pyrrole-2-carboxylic acid
SMILESO=C(Cn1cccc1C(=O)O)NCc1ccccc1F
InChIInChI=1S/C14H13FN2O3/c15-11-5-2-1-4-10(11)8-16-13(18)9-17-7-3-6-12(17)14(19)20/h1-7H,8-9H2,(H,16,18)(H,19,20)
InChIKeyNMLXJVYWAUFCIX-UHFFFAOYSA-N
MW276.27 g/mol
LogP1.64
Rot. Bonds5

About 1-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]pyrrole-2-carboxylic acid

1-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]pyrrole-2-carboxylic acid (PubChem CID 79325322) has the molecular formula C14H13FN2O3 and a molecular weight of 276.27 g/mol. Its IUPAC name is 1-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]pyrrole-2-carboxylic acid
PubChem CID79325322
Molecular FormulaC14H13FN2O3
Molecular Weight276.27 g/mol
Exact Mass276.09
IUPAC Name1-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]pyrrole-2-carboxylic acid
SMILESO=C(Cn1cccc1C(=O)O)NCc1ccccc1F
InChIInChI=1S/C14H13FN2O3/c15-11-5-2-1-4-10(11)8-16-13(18)9-17-7-3-6-12(17)14(19)20/h1-7H,8-9H2,(H,16,18)(H,19,20)
InChIKeyNMLXJVYWAUFCIX-UHFFFAOYSA-N
XLogP1.64
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.27
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]pyrrole-2-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-oxo-2-(pyridin-4-ylmethylamino)ethyl]pyrrole-2-carboxylic acid
CID 79325398
1-[2-[(4-methyl-3-pyridinyl)methylamino]-2-oxoethyl]pyrrole-2-carboxylic acid
CID 114957290
N-[(2-fluorophenyl)methyl]-2-[4-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-1,4-diazepan-1-yl]acetamide
CID 31313746
2-[[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]amino]acetic acid
CID 43465750
N-[(2-fluorophenyl)methyl]-1-methylpyrrole-2-carboxamide
CID 10889774
1-[2-oxo-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]ethyl]pyrrole-2-carboxylic acid
CID 114181752
1-[2-(2-methylsulfanylethylamino)-2-oxoethyl]pyrrole-2-carboxylic acid
CID 79324918
1-[2-[(4-amino-4-oxobutyl)amino]-2-oxoethyl]pyrrole-2-carboxylic acid
CID 79324897
N-[(2-fluorophenyl)methyl]-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide
CID 26553275
2-(3-aminopyrazol-1-yl)-N-[(2-fluorophenyl)methyl]acetamide
CID 55035632
N-[(2-fluorophenyl)methyl]-2-[4-methyl-4-(methylamino)piperidin-1-yl]acetamide
CID 115305042
1-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 63031194

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]pyrrole-2-carboxylic acid?
The IUPAC name of 1-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]pyrrole-2-carboxylic acid (CID 79325322) is 1-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]pyrrole-2-carboxylic acid.
What is the SMILES notation for 1-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]pyrrole-2-carboxylic acid?
The canonical SMILES for 1-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]pyrrole-2-carboxylic acid is O=C(Cn1cccc1C(=O)O)NCc1ccccc1F.
What is the InChIKey of 1-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]pyrrole-2-carboxylic acid?
The InChIKey is NMLXJVYWAUFCIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O3/c15-11-5-2-1-4-10(11)8-16-13(18)9-17-7-3-6-12(17)14(19)20/h1-7H,8-9H2,(H,16,18)(H,19,20).
What are the key properties of 1-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]pyrrole-2-carboxylic acid?
1-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]pyrrole-2-carboxylic acid has a molecular weight of 276.27 g/mol, XLogP of 1.64, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]pyrrole-2-carboxylic acid is sourced from PubChem (CID 79325322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).