[(2R)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pyrrolidin-2-yl]methyl 2-fluorobenzoate

C18H24FNO4 — CID 95787369

IUPAC[(2R)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pyrrolidin-2-yl]methyl 2-fluorobenzoate
SMILESCC(C)(C)OC(=O)CN1CCC[C@@H]1COC(=O)c1ccccc1F
InChIInChI=1S/C18H24FNO4/c1-18(2,3)24-16(21)11-20-10-6-7-13(20)12-23-17(22)14-8-4-5-9-15(14)19/h4-5,8-9,13H,6-7,10-12H2,1-3H3/t13-/m1/s1
InChIKeyHHPREOOFOKFXJC-CYBMUJFWSA-N
MW337.39 g/mol
LogP2.79
Rot. Bonds5

About [(2R)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pyrrolidin-2-yl]methyl 2-fluorobenzoate

[(2R)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pyrrolidin-2-yl]methyl 2-fluorobenzoate (PubChem CID 95787369) has the molecular formula C18H24FNO4 and a molecular weight of 337.39 g/mol. Its IUPAC name is [(2R)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pyrrolidin-2-yl]methyl 2-fluorobenzoate.

Molecular Properties

Compound Name[(2R)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pyrrolidin-2-yl]methyl 2-fluorobenzoate
PubChem CID95787369
Molecular FormulaC18H24FNO4
Molecular Weight337.39 g/mol
Exact Mass337.17
IUPAC Name[(2R)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pyrrolidin-2-yl]methyl 2-fluorobenzoate
SMILESCC(C)(C)OC(=O)CN1CCC[C@@H]1COC(=O)c1ccccc1F
InChIInChI=1S/C18H24FNO4/c1-18(2,3)24-16(21)11-20-10-6-7-13(20)12-23-17(22)14-8-4-5-9-15(14)19/h4-5,8-9,13H,6-7,10-12H2,1-3H3/t13-/m1/s1
InChIKeyHHPREOOFOKFXJC-CYBMUJFWSA-N
XLogP2.79
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.39
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pyrrolidin-2-yl]methyl 2-fluorobenzoate?
The IUPAC name of [(2R)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pyrrolidin-2-yl]methyl 2-fluorobenzoate (CID 95787369) is [(2R)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pyrrolidin-2-yl]methyl 2-fluorobenzoate.
What is the SMILES notation for [(2R)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pyrrolidin-2-yl]methyl 2-fluorobenzoate?
The canonical SMILES for [(2R)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pyrrolidin-2-yl]methyl 2-fluorobenzoate is CC(C)(C)OC(=O)CN1CCC[C@@H]1COC(=O)c1ccccc1F.
What is the InChIKey of [(2R)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pyrrolidin-2-yl]methyl 2-fluorobenzoate?
The InChIKey is HHPREOOFOKFXJC-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H24FNO4/c1-18(2,3)24-16(21)11-20-10-6-7-13(20)12-23-17(22)14-8-4-5-9-15(14)19/h4-5,8-9,13H,6-7,10-12H2,1-3H3/t13-/m1/s1.
What are the key properties of [(2R)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pyrrolidin-2-yl]methyl 2-fluorobenzoate?
[(2R)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pyrrolidin-2-yl]methyl 2-fluorobenzoate has a molecular weight of 337.39 g/mol, XLogP of 2.79, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pyrrolidin-2-yl]methyl 2-fluorobenzoate is sourced from PubChem (CID 95787369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).