methyl 4-(3-fluorocyclobutyl)oxy-5-oxopyrrolidine-2-carboxylate

C10H14FNO4 — CID 70955726

IUPACmethyl 4-(3-fluorocyclobutyl)oxy-5-oxopyrrolidine-2-carboxylate
SMILESCOC(=O)C1CC(OC2CC(F)C2)C(=O)N1
InChIInChI=1S/C10H14FNO4/c1-15-10(14)7-4-8(9(13)12-7)16-6-2-5(11)3-6/h5-8H,2-4H2,1H3,(H,12,13)
InChIKeyLLAKMJSPFTUPMU-UHFFFAOYSA-N
MW231.22 g/mol
LogP-0.07
Rot. Bonds3

About methyl 4-(3-fluorocyclobutyl)oxy-5-oxopyrrolidine-2-carboxylate

methyl 4-(3-fluorocyclobutyl)oxy-5-oxopyrrolidine-2-carboxylate (PubChem CID 70955726) has the molecular formula C10H14FNO4 and a molecular weight of 231.22 g/mol. Its IUPAC name is methyl 4-(3-fluorocyclobutyl)oxy-5-oxopyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-(3-fluorocyclobutyl)oxy-5-oxopyrrolidine-2-carboxylate
PubChem CID70955726
Molecular FormulaC10H14FNO4
Molecular Weight231.22 g/mol
Exact Mass231.09
IUPAC Namemethyl 4-(3-fluorocyclobutyl)oxy-5-oxopyrrolidine-2-carboxylate
SMILESCOC(=O)C1CC(OC2CC(F)C2)C(=O)N1
InChIInChI=1S/C10H14FNO4/c1-15-10(14)7-4-8(9(13)12-7)16-6-2-5(11)3-6/h5-8H,2-4H2,1H3,(H,12,13)
InChIKeyLLAKMJSPFTUPMU-UHFFFAOYSA-N
XLogP-0.07
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.22
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(3-fluorocyclobutyl)oxy-5-oxopyrrolidine-2-carboxylate?
The IUPAC name of methyl 4-(3-fluorocyclobutyl)oxy-5-oxopyrrolidine-2-carboxylate (CID 70955726) is methyl 4-(3-fluorocyclobutyl)oxy-5-oxopyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 4-(3-fluorocyclobutyl)oxy-5-oxopyrrolidine-2-carboxylate?
The canonical SMILES for methyl 4-(3-fluorocyclobutyl)oxy-5-oxopyrrolidine-2-carboxylate is COC(=O)C1CC(OC2CC(F)C2)C(=O)N1.
What is the InChIKey of methyl 4-(3-fluorocyclobutyl)oxy-5-oxopyrrolidine-2-carboxylate?
The InChIKey is LLAKMJSPFTUPMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNO4/c1-15-10(14)7-4-8(9(13)12-7)16-6-2-5(11)3-6/h5-8H,2-4H2,1H3,(H,12,13).
What are the key properties of methyl 4-(3-fluorocyclobutyl)oxy-5-oxopyrrolidine-2-carboxylate?
methyl 4-(3-fluorocyclobutyl)oxy-5-oxopyrrolidine-2-carboxylate has a molecular weight of 231.22 g/mol, XLogP of -0.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(3-fluorocyclobutyl)oxy-5-oxopyrrolidine-2-carboxylate is sourced from PubChem (CID 70955726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).