methyl 1-(azetidin-3-yl)-3-fluoropyrrolidine-3-carboxylate

C9H15FN2O2 — CID 130662951

IUPACmethyl 1-(azetidin-3-yl)-3-fluoropyrrolidine-3-carboxylate
SMILESCOC(=O)C1(F)CCN(C2CNC2)C1
InChIInChI=1S/C9H15FN2O2/c1-14-8(13)9(10)2-3-12(6-9)7-4-11-5-7/h7,11H,2-6H2,1H3
InChIKeyNBOMKAOPHADMGO-UHFFFAOYSA-N
MW202.23 g/mol
LogP-0.45
Rot. Bonds2

About methyl 1-(azetidin-3-yl)-3-fluoropyrrolidine-3-carboxylate

methyl 1-(azetidin-3-yl)-3-fluoropyrrolidine-3-carboxylate (PubChem CID 130662951) has the molecular formula C9H15FN2O2 and a molecular weight of 202.23 g/mol. Its IUPAC name is methyl 1-(azetidin-3-yl)-3-fluoropyrrolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-(azetidin-3-yl)-3-fluoropyrrolidine-3-carboxylate
PubChem CID130662951
Molecular FormulaC9H15FN2O2
Molecular Weight202.23 g/mol
Exact Mass202.11
IUPAC Namemethyl 1-(azetidin-3-yl)-3-fluoropyrrolidine-3-carboxylate
SMILESCOC(=O)C1(F)CCN(C2CNC2)C1
InChIInChI=1S/C9H15FN2O2/c1-14-8(13)9(10)2-3-12(6-9)7-4-11-5-7/h7,11H,2-6H2,1H3
InChIKeyNBOMKAOPHADMGO-UHFFFAOYSA-N
XLogP-0.45
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.23
LogP ≤ 5-0.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(azetidin-3-yl)-3-fluoropyrrolidine-3-carboxylate?
The IUPAC name of methyl 1-(azetidin-3-yl)-3-fluoropyrrolidine-3-carboxylate (CID 130662951) is methyl 1-(azetidin-3-yl)-3-fluoropyrrolidine-3-carboxylate.
What is the SMILES notation for methyl 1-(azetidin-3-yl)-3-fluoropyrrolidine-3-carboxylate?
The canonical SMILES for methyl 1-(azetidin-3-yl)-3-fluoropyrrolidine-3-carboxylate is COC(=O)C1(F)CCN(C2CNC2)C1.
What is the InChIKey of methyl 1-(azetidin-3-yl)-3-fluoropyrrolidine-3-carboxylate?
The InChIKey is NBOMKAOPHADMGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15FN2O2/c1-14-8(13)9(10)2-3-12(6-9)7-4-11-5-7/h7,11H,2-6H2,1H3.
What are the key properties of methyl 1-(azetidin-3-yl)-3-fluoropyrrolidine-3-carboxylate?
methyl 1-(azetidin-3-yl)-3-fluoropyrrolidine-3-carboxylate has a molecular weight of 202.23 g/mol, XLogP of -0.45, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(azetidin-3-yl)-3-fluoropyrrolidine-3-carboxylate is sourced from PubChem (CID 130662951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).