tert-butyl N-methyl-N-[1-(oxolan-2-ylmethyl)pyrrolidin-3-yl]carbamate

C15H28N2O3 — CID 75424523

IUPACtert-butyl N-methyl-N-[1-(oxolan-2-ylmethyl)pyrrolidin-3-yl]carbamate
SMILESCN(C(=O)OC(C)(C)C)C1CCN(CC2CCCO2)C1
InChIInChI=1S/C15H28N2O3/c1-15(2,3)20-14(18)16(4)12-7-8-17(10-12)11-13-6-5-9-19-13/h12-13H,5-11H2,1-4H3
InChIKeyPETILIHTSKKITJ-UHFFFAOYSA-N
MW284.40 g/mol
LogP2.11
Rot. Bonds3

About tert-butyl N-methyl-N-[1-(oxolan-2-ylmethyl)pyrrolidin-3-yl]carbamate

tert-butyl N-methyl-N-[1-(oxolan-2-ylmethyl)pyrrolidin-3-yl]carbamate (PubChem CID 75424523) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is tert-butyl N-methyl-N-[1-(oxolan-2-ylmethyl)pyrrolidin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-[1-(oxolan-2-ylmethyl)pyrrolidin-3-yl]carbamate
PubChem CID75424523
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Nametert-butyl N-methyl-N-[1-(oxolan-2-ylmethyl)pyrrolidin-3-yl]carbamate
SMILESCN(C(=O)OC(C)(C)C)C1CCN(CC2CCCO2)C1
InChIInChI=1S/C15H28N2O3/c1-15(2,3)20-14(18)16(4)12-7-8-17(10-12)11-13-6-5-9-19-13/h12-13H,5-11H2,1-4H3
InChIKeyPETILIHTSKKITJ-UHFFFAOYSA-N
XLogP2.11
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-[1-(oxolan-2-ylmethyl)pyrrolidin-3-yl]carbamate?
The IUPAC name of tert-butyl N-methyl-N-[1-(oxolan-2-ylmethyl)pyrrolidin-3-yl]carbamate (CID 75424523) is tert-butyl N-methyl-N-[1-(oxolan-2-ylmethyl)pyrrolidin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-[1-(oxolan-2-ylmethyl)pyrrolidin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-methyl-N-[1-(oxolan-2-ylmethyl)pyrrolidin-3-yl]carbamate is CN(C(=O)OC(C)(C)C)C1CCN(CC2CCCO2)C1.
What is the InChIKey of tert-butyl N-methyl-N-[1-(oxolan-2-ylmethyl)pyrrolidin-3-yl]carbamate?
The InChIKey is PETILIHTSKKITJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-15(2,3)20-14(18)16(4)12-7-8-17(10-12)11-13-6-5-9-19-13/h12-13H,5-11H2,1-4H3.
What are the key properties of tert-butyl N-methyl-N-[1-(oxolan-2-ylmethyl)pyrrolidin-3-yl]carbamate?
tert-butyl N-methyl-N-[1-(oxolan-2-ylmethyl)pyrrolidin-3-yl]carbamate has a molecular weight of 284.40 g/mol, XLogP of 2.11, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-N-[1-(oxolan-2-ylmethyl)pyrrolidin-3-yl]carbamate is sourced from PubChem (CID 75424523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).