4-[1-(3,5-difluorophenyl)-5-oxopyrrolidine-3-carbonyl]morpholine-3-carboxylic acid

C16H16F2N2O5 — CID 119216244

IUPAC4-[1-(3,5-difluorophenyl)-5-oxopyrrolidine-3-carbonyl]morpholine-3-carboxylic acid
SMILESO=C(O)C1COCCN1C(=O)C1CC(=O)N(c2cc(F)cc(F)c2)C1
InChIInChI=1S/C16H16F2N2O5/c17-10-4-11(18)6-12(5-10)20-7-9(3-14(20)21)15(22)19-1-2-25-8-13(19)16(23)24/h4-6,9,13H,1-3,7-8H2,(H,23,24)
InChIKeyACWSGZFWUMMSNT-UHFFFAOYSA-N
MW354.31 g/mol
LogP0.63
Rot. Bonds3

About 4-[1-(3,5-difluorophenyl)-5-oxopyrrolidine-3-carbonyl]morpholine-3-carboxylic acid

4-[1-(3,5-difluorophenyl)-5-oxopyrrolidine-3-carbonyl]morpholine-3-carboxylic acid (PubChem CID 119216244) has the molecular formula C16H16F2N2O5 and a molecular weight of 354.31 g/mol. Its IUPAC name is 4-[1-(3,5-difluorophenyl)-5-oxopyrrolidine-3-carbonyl]morpholine-3-carboxylic acid.

Molecular Properties

Compound Name4-[1-(3,5-difluorophenyl)-5-oxopyrrolidine-3-carbonyl]morpholine-3-carboxylic acid
PubChem CID119216244
Molecular FormulaC16H16F2N2O5
Molecular Weight354.31 g/mol
Exact Mass354.10
IUPAC Name4-[1-(3,5-difluorophenyl)-5-oxopyrrolidine-3-carbonyl]morpholine-3-carboxylic acid
SMILESO=C(O)C1COCCN1C(=O)C1CC(=O)N(c2cc(F)cc(F)c2)C1
InChIInChI=1S/C16H16F2N2O5/c17-10-4-11(18)6-12(5-10)20-7-9(3-14(20)21)15(22)19-1-2-25-8-13(19)16(23)24/h4-6,9,13H,1-3,7-8H2,(H,23,24)
InChIKeyACWSGZFWUMMSNT-UHFFFAOYSA-N
XLogP0.63
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.31
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[1-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carbonyl]morpholine-3-carboxylic acid
CID 119215873
(3S)-4-[(3R)-1-cycloheptyl-5-oxopyrrolidine-3-carbonyl]morpholine-3-carboxylic acid
CID 125152997
(4R)-1-(3,5-difluorophenyl)-4-[(2R,4S)-4-hydroxy-2-methylpyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 99779002
4-[1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]morpholine-3-carboxylic acid
CID 119215864
(3R)-4-[(3S)-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carbonyl]morpholine-3-carboxylic acid
CID 125419089
4-[5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carbonyl]morpholine-3-carboxylic acid
CID 126791996
(2S)-1-[(3R)-1-(3,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]pyrrolidine-2-carboxylic acid
CID 125120077
1-(3,5-difluorophenyl)-4-(2-pyridin-3-ylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 120732465
2-[[(3S)-1-(3,5-difluorophenyl)-5-oxopyrrolidine-3-carbonyl]-(oxan-4-yl)amino]acetic acid
CID 125150470
(3R)-4-(3-bromo-5-fluorobenzoyl)morpholine-3-carboxylic acid
CID 124513317
1-[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-2-carboxylic acid
CID 119137739
1-(3,5-difluorophenyl)-4-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 119541329

Frequently Asked Questions

What is the IUPAC name of 4-[1-(3,5-difluorophenyl)-5-oxopyrrolidine-3-carbonyl]morpholine-3-carboxylic acid?
The IUPAC name of 4-[1-(3,5-difluorophenyl)-5-oxopyrrolidine-3-carbonyl]morpholine-3-carboxylic acid (CID 119216244) is 4-[1-(3,5-difluorophenyl)-5-oxopyrrolidine-3-carbonyl]morpholine-3-carboxylic acid.
What is the SMILES notation for 4-[1-(3,5-difluorophenyl)-5-oxopyrrolidine-3-carbonyl]morpholine-3-carboxylic acid?
The canonical SMILES for 4-[1-(3,5-difluorophenyl)-5-oxopyrrolidine-3-carbonyl]morpholine-3-carboxylic acid is O=C(O)C1COCCN1C(=O)C1CC(=O)N(c2cc(F)cc(F)c2)C1.
What is the InChIKey of 4-[1-(3,5-difluorophenyl)-5-oxopyrrolidine-3-carbonyl]morpholine-3-carboxylic acid?
The InChIKey is ACWSGZFWUMMSNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N2O5/c17-10-4-11(18)6-12(5-10)20-7-9(3-14(20)21)15(22)19-1-2-25-8-13(19)16(23)24/h4-6,9,13H,1-3,7-8H2,(H,23,24).
What are the key properties of 4-[1-(3,5-difluorophenyl)-5-oxopyrrolidine-3-carbonyl]morpholine-3-carboxylic acid?
4-[1-(3,5-difluorophenyl)-5-oxopyrrolidine-3-carbonyl]morpholine-3-carboxylic acid has a molecular weight of 354.31 g/mol, XLogP of 0.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(3,5-difluorophenyl)-5-oxopyrrolidine-3-carbonyl]morpholine-3-carboxylic acid is sourced from PubChem (CID 119216244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).