propan-2-yl 5-[[fluorooxymethyl(propan-2-yl)amino]methyl]pyrrolidine-2-carboxylate

C13H25FN2O3 — CID 176601047

IUPACpropan-2-yl 5-[[fluorooxymethyl(propan-2-yl)amino]methyl]pyrrolidine-2-carboxylate
SMILESCC(C)OC(=O)C1CCC(CN(COF)C(C)C)N1
InChIInChI=1S/C13H25FN2O3/c1-9(2)16(8-18-14)7-11-5-6-12(15-11)13(17)19-10(3)4/h9-12,15H,5-8H2,1-4H3
InChIKeyCMWAZZOSIHZFJA-UHFFFAOYSA-N
MW276.35 g/mol
LogP1.63
Rot. Bonds7

About propan-2-yl 5-[[fluorooxymethyl(propan-2-yl)amino]methyl]pyrrolidine-2-carboxylate

propan-2-yl 5-[[fluorooxymethyl(propan-2-yl)amino]methyl]pyrrolidine-2-carboxylate (PubChem CID 176601047) has the molecular formula C13H25FN2O3 and a molecular weight of 276.35 g/mol. Its IUPAC name is propan-2-yl 5-[[fluorooxymethyl(propan-2-yl)amino]methyl]pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 5-[[fluorooxymethyl(propan-2-yl)amino]methyl]pyrrolidine-2-carboxylate
PubChem CID176601047
Molecular FormulaC13H25FN2O3
Molecular Weight276.35 g/mol
Exact Mass276.18
IUPAC Namepropan-2-yl 5-[[fluorooxymethyl(propan-2-yl)amino]methyl]pyrrolidine-2-carboxylate
SMILESCC(C)OC(=O)C1CCC(CN(COF)C(C)C)N1
InChIInChI=1S/C13H25FN2O3/c1-9(2)16(8-18-14)7-11-5-6-12(15-11)13(17)19-10(3)4/h9-12,15H,5-8H2,1-4H3
InChIKeyCMWAZZOSIHZFJA-UHFFFAOYSA-N
XLogP1.63
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.35
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 5-[[fluorooxymethyl(propan-2-yl)amino]methyl]pyrrolidine-2-carboxylate?
The IUPAC name of propan-2-yl 5-[[fluorooxymethyl(propan-2-yl)amino]methyl]pyrrolidine-2-carboxylate (CID 176601047) is propan-2-yl 5-[[fluorooxymethyl(propan-2-yl)amino]methyl]pyrrolidine-2-carboxylate.
What is the SMILES notation for propan-2-yl 5-[[fluorooxymethyl(propan-2-yl)amino]methyl]pyrrolidine-2-carboxylate?
The canonical SMILES for propan-2-yl 5-[[fluorooxymethyl(propan-2-yl)amino]methyl]pyrrolidine-2-carboxylate is CC(C)OC(=O)C1CCC(CN(COF)C(C)C)N1.
What is the InChIKey of propan-2-yl 5-[[fluorooxymethyl(propan-2-yl)amino]methyl]pyrrolidine-2-carboxylate?
The InChIKey is CMWAZZOSIHZFJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25FN2O3/c1-9(2)16(8-18-14)7-11-5-6-12(15-11)13(17)19-10(3)4/h9-12,15H,5-8H2,1-4H3.
What are the key properties of propan-2-yl 5-[[fluorooxymethyl(propan-2-yl)amino]methyl]pyrrolidine-2-carboxylate?
propan-2-yl 5-[[fluorooxymethyl(propan-2-yl)amino]methyl]pyrrolidine-2-carboxylate has a molecular weight of 276.35 g/mol, XLogP of 1.63, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 5-[[fluorooxymethyl(propan-2-yl)amino]methyl]pyrrolidine-2-carboxylate is sourced from PubChem (CID 176601047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).