ethyl 1-[4-fluoro-5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]cyclobutane-1-carboxylate

C19H24FNO3 — CID 21261033

IUPACethyl 1-[4-fluoro-5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]cyclobutane-1-carboxylate
SMILESCCOC(=O)C1(C2CN(C(C)c3ccccc3)C(=O)C2F)CCC1
InChIInChI=1S/C19H24FNO3/c1-3-24-18(23)19(10-7-11-19)15-12-21(17(22)16(15)20)13(2)14-8-5-4-6-9-14/h4-6,8-9,13,15-16H,3,7,10-12H2,1-2H3
InChIKeyAMFNVMWTXUFHQB-UHFFFAOYSA-N
MW333.40 g/mol
LogP3.28
Rot. Bonds5

About ethyl 1-[4-fluoro-5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]cyclobutane-1-carboxylate

ethyl 1-[4-fluoro-5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]cyclobutane-1-carboxylate (PubChem CID 21261033) has the molecular formula C19H24FNO3 and a molecular weight of 333.40 g/mol. Its IUPAC name is ethyl 1-[4-fluoro-5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]cyclobutane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-[4-fluoro-5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]cyclobutane-1-carboxylate
PubChem CID21261033
Molecular FormulaC19H24FNO3
Molecular Weight333.40 g/mol
Exact Mass333.17
IUPAC Nameethyl 1-[4-fluoro-5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]cyclobutane-1-carboxylate
SMILESCCOC(=O)C1(C2CN(C(C)c3ccccc3)C(=O)C2F)CCC1
InChIInChI=1S/C19H24FNO3/c1-3-24-18(23)19(10-7-11-19)15-12-21(17(22)16(15)20)13(2)14-8-5-4-6-9-14/h4-6,8-9,13,15-16H,3,7,10-12H2,1-2H3
InChIKeyAMFNVMWTXUFHQB-UHFFFAOYSA-N
XLogP3.28
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.40
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[4-fluoro-5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]cyclobutane-1-carboxylate?
The IUPAC name of ethyl 1-[4-fluoro-5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]cyclobutane-1-carboxylate (CID 21261033) is ethyl 1-[4-fluoro-5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]cyclobutane-1-carboxylate.
What is the SMILES notation for ethyl 1-[4-fluoro-5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]cyclobutane-1-carboxylate?
The canonical SMILES for ethyl 1-[4-fluoro-5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]cyclobutane-1-carboxylate is CCOC(=O)C1(C2CN(C(C)c3ccccc3)C(=O)C2F)CCC1.
What is the InChIKey of ethyl 1-[4-fluoro-5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]cyclobutane-1-carboxylate?
The InChIKey is AMFNVMWTXUFHQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FNO3/c1-3-24-18(23)19(10-7-11-19)15-12-21(17(22)16(15)20)13(2)14-8-5-4-6-9-14/h4-6,8-9,13,15-16H,3,7,10-12H2,1-2H3.
What are the key properties of ethyl 1-[4-fluoro-5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]cyclobutane-1-carboxylate?
ethyl 1-[4-fluoro-5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]cyclobutane-1-carboxylate has a molecular weight of 333.40 g/mol, XLogP of 3.28, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[4-fluoro-5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]cyclobutane-1-carboxylate is sourced from PubChem (CID 21261033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).