tert-butyl 2-(1-methoxy-2-methylpropyl)pyrrolidine-1-carboxylate

C14H27NO3 — CID 123618244

IUPACtert-butyl 2-(1-methoxy-2-methylpropyl)pyrrolidine-1-carboxylate
SMILESCOC(C(C)C)C1CCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C14H27NO3/c1-10(2)12(17-6)11-8-7-9-15(11)13(16)18-14(3,4)5/h10-12H,7-9H2,1-6H3
InChIKeyPPWWEOKAFUTXOA-UHFFFAOYSA-N
MW257.37 g/mol
LogP3.06
Rot. Bonds3

About tert-butyl 2-(1-methoxy-2-methylpropyl)pyrrolidine-1-carboxylate

tert-butyl 2-(1-methoxy-2-methylpropyl)pyrrolidine-1-carboxylate (PubChem CID 123618244) has the molecular formula C14H27NO3 and a molecular weight of 257.37 g/mol. Its IUPAC name is tert-butyl 2-(1-methoxy-2-methylpropyl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-(1-methoxy-2-methylpropyl)pyrrolidine-1-carboxylate
PubChem CID123618244
Molecular FormulaC14H27NO3
Molecular Weight257.37 g/mol
Exact Mass257.20
IUPAC Nametert-butyl 2-(1-methoxy-2-methylpropyl)pyrrolidine-1-carboxylate
SMILESCOC(C(C)C)C1CCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C14H27NO3/c1-10(2)12(17-6)11-8-7-9-15(11)13(16)18-14(3,4)5/h10-12H,7-9H2,1-6H3
InChIKeyPPWWEOKAFUTXOA-UHFFFAOYSA-N
XLogP3.06
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.37
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(1-methoxy-2-methylpropyl)pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 2-(1-methoxy-2-methylpropyl)pyrrolidine-1-carboxylate (CID 123618244) is tert-butyl 2-(1-methoxy-2-methylpropyl)pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-(1-methoxy-2-methylpropyl)pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-(1-methoxy-2-methylpropyl)pyrrolidine-1-carboxylate is COC(C(C)C)C1CCCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-(1-methoxy-2-methylpropyl)pyrrolidine-1-carboxylate?
The InChIKey is PPWWEOKAFUTXOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO3/c1-10(2)12(17-6)11-8-7-9-15(11)13(16)18-14(3,4)5/h10-12H,7-9H2,1-6H3.
What are the key properties of tert-butyl 2-(1-methoxy-2-methylpropyl)pyrrolidine-1-carboxylate?
tert-butyl 2-(1-methoxy-2-methylpropyl)pyrrolidine-1-carboxylate has a molecular weight of 257.37 g/mol, XLogP of 3.06, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(1-methoxy-2-methylpropyl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 123618244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).