methyl 4-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine-2-carboxylate

C13H25NO3 — CID 58171946

IUPACmethyl 4-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CC(C)CN1CCOC(C)(C)C
InChIInChI=1S/C13H25NO3/c1-10-8-11(12(15)16-5)14(9-10)6-7-17-13(2,3)4/h10-11H,6-9H2,1-5H3
InChIKeyUAUPYWOMRRARMF-UHFFFAOYSA-N
MW243.35 g/mol
LogP1.68
Rot. Bonds4

About methyl 4-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine-2-carboxylate

methyl 4-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine-2-carboxylate (PubChem CID 58171946) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is methyl 4-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine-2-carboxylate
PubChem CID58171946
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC Namemethyl 4-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CC(C)CN1CCOC(C)(C)C
InChIInChI=1S/C13H25NO3/c1-10-8-11(12(15)16-5)14(9-10)6-7-17-13(2,3)4/h10-11H,6-9H2,1-5H3
InChIKeyUAUPYWOMRRARMF-UHFFFAOYSA-N
XLogP1.68
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine-2-carboxylate?
The IUPAC name of methyl 4-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine-2-carboxylate (CID 58171946) is methyl 4-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 4-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine-2-carboxylate?
The canonical SMILES for methyl 4-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine-2-carboxylate is COC(=O)C1CC(C)CN1CCOC(C)(C)C.
What is the InChIKey of methyl 4-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine-2-carboxylate?
The InChIKey is UAUPYWOMRRARMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3/c1-10-8-11(12(15)16-5)14(9-10)6-7-17-13(2,3)4/h10-11H,6-9H2,1-5H3.
What are the key properties of methyl 4-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine-2-carboxylate?
methyl 4-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine-2-carboxylate has a molecular weight of 243.35 g/mol, XLogP of 1.68, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidine-2-carboxylate is sourced from PubChem (CID 58171946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).