4-[1-(2-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]morpholine-2-carboxylic acid

C17H19FN2O5 — CID 126794386

IUPAC4-[1-(2-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]morpholine-2-carboxylic acid
SMILESCc1ccc(N2CC(C(=O)N3CCOC(C(=O)O)C3)CC2=O)c(F)c1
InChIInChI=1S/C17H19FN2O5/c1-10-2-3-13(12(18)6-10)20-8-11(7-15(20)21)16(22)19-4-5-25-14(9-19)17(23)24/h2-3,6,11,14H,4-5,7-9H2,1H3,(H,23,24)
InChIKeyILEVGQTYQNXCCL-UHFFFAOYSA-N
MW350.35 g/mol
LogP0.80
Rot. Bonds3

About 4-[1-(2-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]morpholine-2-carboxylic acid

4-[1-(2-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]morpholine-2-carboxylic acid (PubChem CID 126794386) has the molecular formula C17H19FN2O5 and a molecular weight of 350.35 g/mol. Its IUPAC name is 4-[1-(2-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]morpholine-2-carboxylic acid.

Molecular Properties

Compound Name4-[1-(2-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]morpholine-2-carboxylic acid
PubChem CID126794386
Molecular FormulaC17H19FN2O5
Molecular Weight350.35 g/mol
Exact Mass350.13
IUPAC Name4-[1-(2-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]morpholine-2-carboxylic acid
SMILESCc1ccc(N2CC(C(=O)N3CCOC(C(=O)O)C3)CC2=O)c(F)c1
InChIInChI=1S/C17H19FN2O5/c1-10-2-3-13(12(18)6-10)20-8-11(7-15(20)21)16(22)19-4-5-25-14(9-19)17(23)24/h2-3,6,11,14H,4-5,7-9H2,1H3,(H,23,24)
InChIKeyILEVGQTYQNXCCL-UHFFFAOYSA-N
XLogP0.80
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.35
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-4-[(3R)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carbonyl]morpholine-2-carboxylic acid
CID 129468641
1-(2-fluoro-4-methylphenyl)-4-[4-(2-fluorophenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 55604654
4-[4-(2-chlorophenyl)piperazine-1-carbonyl]-1-(2-fluoro-4-methylphenyl)pyrrolidin-2-one
CID 55604907
(2R)-4-[(3R)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]morpholine-2-carboxylic acid
CID 129469151
1-(2-fluoro-4-methylphenyl)-4-(4-methoxypiperidine-1-carbonyl)pyrrolidin-2-one
CID 56811933
1-[1-(2-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]-N-phenylpiperidine-3-carboxamide
CID 46686770
1-[1-(2-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]-N-methylpiperidine-4-carboxamide
CID 55607540
2-[4-[1-(2-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperazin-1-yl]-3-methylbutanenitrile
CID 56585984
(4R)-4-[(2R,5R)-2,5-dimethylmorpholine-4-carbonyl]-1-(2-fluoro-4-methylphenyl)pyrrolidin-2-one
CID 98672593
[(3R)-1-[(3R)-1-(2-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidin-3-yl]methanesulfonamide
CID 124861676
2-[4-[1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carbonyl]morpholin-2-yl]acetic acid
CID 119247975
(4S)-4-[4-(3-aminopropoxy)piperidine-1-carbonyl]-1-(2-fluoro-4-methylphenyl)pyrrolidin-2-one
CID 124596709

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]morpholine-2-carboxylic acid?
The IUPAC name of 4-[1-(2-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]morpholine-2-carboxylic acid (CID 126794386) is 4-[1-(2-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]morpholine-2-carboxylic acid.
What is the SMILES notation for 4-[1-(2-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]morpholine-2-carboxylic acid?
The canonical SMILES for 4-[1-(2-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]morpholine-2-carboxylic acid is Cc1ccc(N2CC(C(=O)N3CCOC(C(=O)O)C3)CC2=O)c(F)c1.
What is the InChIKey of 4-[1-(2-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]morpholine-2-carboxylic acid?
The InChIKey is ILEVGQTYQNXCCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O5/c1-10-2-3-13(12(18)6-10)20-8-11(7-15(20)21)16(22)19-4-5-25-14(9-19)17(23)24/h2-3,6,11,14H,4-5,7-9H2,1H3,(H,23,24).
What are the key properties of 4-[1-(2-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]morpholine-2-carboxylic acid?
4-[1-(2-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]morpholine-2-carboxylic acid has a molecular weight of 350.35 g/mol, XLogP of 0.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]morpholine-2-carboxylic acid is sourced from PubChem (CID 126794386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).