2-[[1-(4-fluoro-3-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-methoxy-2-methylpropanoic acid

C17H21FN2O5 — CID 120531702

IUPAC2-[[1-(4-fluoro-3-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-methoxy-2-methylpropanoic acid
SMILESCOCC(C)(NC(=O)C1CC(=O)N(c2ccc(F)c(C)c2)C1)C(=O)O
InChIInChI=1S/C17H21FN2O5/c1-10-6-12(4-5-13(10)18)20-8-11(7-14(20)21)15(22)19-17(2,9-25-3)16(23)24/h4-6,11H,7-9H2,1-3H3,(H,19,22)(H,23,24)
InChIKeyLDTNGWPHUDXVDI-UHFFFAOYSA-N
MW352.36 g/mol
LogP1.09
Rot. Bonds6

About 2-[[1-(4-fluoro-3-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-methoxy-2-methylpropanoic acid

2-[[1-(4-fluoro-3-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-methoxy-2-methylpropanoic acid (PubChem CID 120531702) has the molecular formula C17H21FN2O5 and a molecular weight of 352.36 g/mol. Its IUPAC name is 2-[[1-(4-fluoro-3-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-methoxy-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[[1-(4-fluoro-3-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-methoxy-2-methylpropanoic acid
PubChem CID120531702
Molecular FormulaC17H21FN2O5
Molecular Weight352.36 g/mol
Exact Mass352.14
IUPAC Name2-[[1-(4-fluoro-3-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-methoxy-2-methylpropanoic acid
SMILESCOCC(C)(NC(=O)C1CC(=O)N(c2ccc(F)c(C)c2)C1)C(=O)O
InChIInChI=1S/C17H21FN2O5/c1-10-6-12(4-5-13(10)18)20-8-11(7-14(20)21)15(22)19-17(2,9-25-3)16(23)24/h4-6,11H,7-9H2,1-3H3,(H,19,22)(H,23,24)
InChIKeyLDTNGWPHUDXVDI-UHFFFAOYSA-N
XLogP1.09
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.36
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[1-(4-fluoro-3-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-methoxy-2-methylpropanoic acid with MolForge

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Related Compounds

1-(4-fluoro-3-methylphenyl)-N-(1-hydroxy-2-methylpropan-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 110022001
2-[[1-(4-fluoro-3-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-methylbutanoic acid
CID 120513243
N-tert-butyl-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 6497633
1-(4-fluoro-3-methylphenyl)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 110021472
1-(4-fluoro-3-methylphenyl)-N-(2-hydroxypentyl)-5-oxopyrrolidine-3-carboxamide
CID 110021602
1-(4-fluoro-3-methylphenyl)-N-(4-hydroxy-2-methylpentyl)-5-oxopyrrolidine-3-carboxamide
CID 110021375
4-[[[1-(4-fluoro-3-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]methyl]oxane-4-carboxylic acid
CID 120542007
2-[[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-methylpropanoic acid
CID 75493668
(3R)-N-tert-butyl-1-(3-chloro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 7438206
1-[1-(4-fluoro-3-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxylic acid
CID 120512252
1-[(3S)-1-(4-fluoro-3-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxylic acid
CID 129402129
(3R)-1-(3-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 7378747

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(4-fluoro-3-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-methoxy-2-methylpropanoic acid?
The IUPAC name of 2-[[1-(4-fluoro-3-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-methoxy-2-methylpropanoic acid (CID 120531702) is 2-[[1-(4-fluoro-3-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-methoxy-2-methylpropanoic acid.
What is the SMILES notation for 2-[[1-(4-fluoro-3-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-methoxy-2-methylpropanoic acid?
The canonical SMILES for 2-[[1-(4-fluoro-3-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-methoxy-2-methylpropanoic acid is COCC(C)(NC(=O)C1CC(=O)N(c2ccc(F)c(C)c2)C1)C(=O)O.
What is the InChIKey of 2-[[1-(4-fluoro-3-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-methoxy-2-methylpropanoic acid?
The InChIKey is LDTNGWPHUDXVDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O5/c1-10-6-12(4-5-13(10)18)20-8-11(7-14(20)21)15(22)19-17(2,9-25-3)16(23)24/h4-6,11H,7-9H2,1-3H3,(H,19,22)(H,23,24).
What are the key properties of 2-[[1-(4-fluoro-3-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-methoxy-2-methylpropanoic acid?
2-[[1-(4-fluoro-3-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-methoxy-2-methylpropanoic acid has a molecular weight of 352.36 g/mol, XLogP of 1.09, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(4-fluoro-3-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-methoxy-2-methylpropanoic acid is sourced from PubChem (CID 120531702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).