3-[[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]amino]-2-methyl-3-oxopropanoic acid

C14H15FN2O4 — CID 122065578

IUPAC3-[[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]amino]-2-methyl-3-oxopropanoic acid
SMILESCC(C(=O)O)C(=O)NC1CCN(c2ccccc2F)C1=O
InChIInChI=1S/C14H15FN2O4/c1-8(14(20)21)12(18)16-10-6-7-17(13(10)19)11-5-3-2-4-9(11)15/h2-5,8,10H,6-7H2,1H3,(H,16,18)(H,20,21)
InChIKeyHELAKAZASVTESF-UHFFFAOYSA-N
MW294.28 g/mol
LogP0.77
Rot. Bonds4

About 3-[[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]amino]-2-methyl-3-oxopropanoic acid

3-[[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]amino]-2-methyl-3-oxopropanoic acid (PubChem CID 122065578) has the molecular formula C14H15FN2O4 and a molecular weight of 294.28 g/mol. Its IUPAC name is 3-[[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]amino]-2-methyl-3-oxopropanoic acid.

Molecular Properties

Compound Name3-[[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]amino]-2-methyl-3-oxopropanoic acid
PubChem CID122065578
Molecular FormulaC14H15FN2O4
Molecular Weight294.28 g/mol
Exact Mass294.10
IUPAC Name3-[[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]amino]-2-methyl-3-oxopropanoic acid
SMILESCC(C(=O)O)C(=O)NC1CCN(c2ccccc2F)C1=O
InChIInChI=1S/C14H15FN2O4/c1-8(14(20)21)12(18)16-10-6-7-17(13(10)19)11-5-3-2-4-9(11)15/h2-5,8,10H,6-7H2,1H3,(H,16,18)(H,20,21)
InChIKeyHELAKAZASVTESF-UHFFFAOYSA-N
XLogP0.77
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.28
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-amino-N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-4-methylpentanamide
CID 119785333
(2S)-N-[(3R)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-2-methoxy-2-phenylacetamide
CID 96526165
2-amino-N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]acetamide
CID 119324605
tert-butyl N-[(3S)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]carbamate
CID 95623664
2-methyl-3-oxo-3-[[2-oxo-1-(2,4,6-trimethylphenyl)pyrrolidin-3-yl]amino]propanoic acid
CID 122066328
1-[(3S)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-3-(2,2,2-trifluoroethyl)urea
CID 95979904
N-[(3R)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-5-methylpyrazine-2-carboxamide
CID 96526242
N-[(3S)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-5-methylpyrazine-2-carboxamide
CID 96526243
1-[(3R)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-3-pyridin-2-ylurea
CID 95979903
2-[2-[[1-(2-fluorophenyl)-2-oxopiperidin-3-yl]amino]-2-oxoethyl]benzoic acid
CID 120551295
7-amino-N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]heptanamide;hydrochloride
CID 119785281
3-[[1-[(4-fluorophenyl)methyl]-2-oxopyrrolidin-3-yl]amino]-2-methyl-3-oxopropanoic acid
CID 122066411

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]amino]-2-methyl-3-oxopropanoic acid?
The IUPAC name of 3-[[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]amino]-2-methyl-3-oxopropanoic acid (CID 122065578) is 3-[[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]amino]-2-methyl-3-oxopropanoic acid.
What is the SMILES notation for 3-[[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]amino]-2-methyl-3-oxopropanoic acid?
The canonical SMILES for 3-[[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]amino]-2-methyl-3-oxopropanoic acid is CC(C(=O)O)C(=O)NC1CCN(c2ccccc2F)C1=O.
What is the InChIKey of 3-[[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]amino]-2-methyl-3-oxopropanoic acid?
The InChIKey is HELAKAZASVTESF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O4/c1-8(14(20)21)12(18)16-10-6-7-17(13(10)19)11-5-3-2-4-9(11)15/h2-5,8,10H,6-7H2,1H3,(H,16,18)(H,20,21).
What are the key properties of 3-[[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]amino]-2-methyl-3-oxopropanoic acid?
3-[[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]amino]-2-methyl-3-oxopropanoic acid has a molecular weight of 294.28 g/mol, XLogP of 0.77, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]amino]-2-methyl-3-oxopropanoic acid is sourced from PubChem (CID 122065578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).