3-[[1-(2-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-methylpropanoic acid

C15H17FN2O4 — CID 119237470

IUPAC3-[[1-(2-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-methylpropanoic acid
SMILESCC(CNC(=O)C1CC(=O)N(c2ccccc2F)C1)C(=O)O
InChIInChI=1S/C15H17FN2O4/c1-9(15(21)22)7-17-14(20)10-6-13(19)18(8-10)12-5-3-2-4-11(12)16/h2-5,9-10H,6-8H2,1H3,(H,17,20)(H,21,22)
InChIKeySIOYSXZYSCDVLS-UHFFFAOYSA-N
MW308.31 g/mol
LogP1.02
Rot. Bonds5

About 3-[[1-(2-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-methylpropanoic acid

3-[[1-(2-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-methylpropanoic acid (PubChem CID 119237470) has the molecular formula C15H17FN2O4 and a molecular weight of 308.31 g/mol. Its IUPAC name is 3-[[1-(2-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[[1-(2-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-methylpropanoic acid
PubChem CID119237470
Molecular FormulaC15H17FN2O4
Molecular Weight308.31 g/mol
Exact Mass308.12
IUPAC Name3-[[1-(2-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-methylpropanoic acid
SMILESCC(CNC(=O)C1CC(=O)N(c2ccccc2F)C1)C(=O)O
InChIInChI=1S/C15H17FN2O4/c1-9(15(21)22)7-17-14(20)10-6-13(19)18(8-10)12-5-3-2-4-11(12)16/h2-5,9-10H,6-8H2,1H3,(H,17,20)(H,21,22)
InChIKeySIOYSXZYSCDVLS-UHFFFAOYSA-N
XLogP1.02
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.31
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[[1-(2-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]-4-methylpentanoic acid
CID 119363195
1-(2-fluorophenyl)-5-oxo-N-(1-phenylethyl)pyrrolidine-3-carboxamide
CID 51175319
1-(2-fluorophenyl)-N-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
CID 47006883
(3R)-N-[(2S)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 9167623
tert-butyl N-[2-[[(3S)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]ethyl]carbamate
CID 39351871
1-(2-bromophenyl)-N-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 46582372
2-[[1-(2-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]-methylamino]propanoic acid
CID 119209447
methyl (3S)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxylate
CID 94075738
(3R)-N-[(2R)-2-hydroxypropyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 7034624
1-(2-fluorophenyl)-N-[1-(furan-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 43022713
1-(2-fluorophenyl)-N-[(4-methylphenyl)-phenylmethyl]-5-oxopyrrolidine-3-carboxamide
CID 16557109
(3R)-1-(2-fluorophenyl)-5-oxo-N-[(3S)-3-(2-oxopyrrolidin-1-yl)pentyl]pyrrolidine-3-carboxamide
CID 52533833

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(2-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-methylpropanoic acid?
The IUPAC name of 3-[[1-(2-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-methylpropanoic acid (CID 119237470) is 3-[[1-(2-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[[1-(2-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-methylpropanoic acid?
The canonical SMILES for 3-[[1-(2-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-methylpropanoic acid is CC(CNC(=O)C1CC(=O)N(c2ccccc2F)C1)C(=O)O.
What is the InChIKey of 3-[[1-(2-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-methylpropanoic acid?
The InChIKey is SIOYSXZYSCDVLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O4/c1-9(15(21)22)7-17-14(20)10-6-13(19)18(8-10)12-5-3-2-4-11(12)16/h2-5,9-10H,6-8H2,1H3,(H,17,20)(H,21,22).
What are the key properties of 3-[[1-(2-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-methylpropanoic acid?
3-[[1-(2-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-methylpropanoic acid has a molecular weight of 308.31 g/mol, XLogP of 1.02, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(2-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-methylpropanoic acid is sourced from PubChem (CID 119237470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).