[3-(2-methylpropylamino)pyrrolidin-1-yl]-[(2R)-oxolan-2-yl]methanone

C13H24N2O2 — CID 154498242

IUPAC[3-(2-methylpropylamino)pyrrolidin-1-yl]-[(2R)-oxolan-2-yl]methanone
SMILESCC(C)CNC1CCN(C(=O)[C@H]2CCCO2)C1
InChIInChI=1S/C13H24N2O2/c1-10(2)8-14-11-5-6-15(9-11)13(16)12-4-3-7-17-12/h10-12,14H,3-9H2,1-2H3/t11?,12-/m1/s1
InChIKeyFWIMEOXCWLLWPX-PIJUOVFKSA-N
MW240.35 g/mol
LogP1.01
Rot. Bonds4

About [3-(2-methylpropylamino)pyrrolidin-1-yl]-[(2R)-oxolan-2-yl]methanone

[3-(2-methylpropylamino)pyrrolidin-1-yl]-[(2R)-oxolan-2-yl]methanone (PubChem CID 154498242) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is [3-(2-methylpropylamino)pyrrolidin-1-yl]-[(2R)-oxolan-2-yl]methanone.

Molecular Properties

Compound Name[3-(2-methylpropylamino)pyrrolidin-1-yl]-[(2R)-oxolan-2-yl]methanone
PubChem CID154498242
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name[3-(2-methylpropylamino)pyrrolidin-1-yl]-[(2R)-oxolan-2-yl]methanone
SMILESCC(C)CNC1CCN(C(=O)[C@H]2CCCO2)C1
InChIInChI=1S/C13H24N2O2/c1-10(2)8-14-11-5-6-15(9-11)13(16)12-4-3-7-17-12/h10-12,14H,3-9H2,1-2H3/t11?,12-/m1/s1
InChIKeyFWIMEOXCWLLWPX-PIJUOVFKSA-N
XLogP1.01
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(2-methylpropylamino)pyrrolidin-1-yl]-[(2R)-oxolan-2-yl]methanone?
The IUPAC name of [3-(2-methylpropylamino)pyrrolidin-1-yl]-[(2R)-oxolan-2-yl]methanone (CID 154498242) is [3-(2-methylpropylamino)pyrrolidin-1-yl]-[(2R)-oxolan-2-yl]methanone.
What is the SMILES notation for [3-(2-methylpropylamino)pyrrolidin-1-yl]-[(2R)-oxolan-2-yl]methanone?
The canonical SMILES for [3-(2-methylpropylamino)pyrrolidin-1-yl]-[(2R)-oxolan-2-yl]methanone is CC(C)CNC1CCN(C(=O)[C@H]2CCCO2)C1.
What is the InChIKey of [3-(2-methylpropylamino)pyrrolidin-1-yl]-[(2R)-oxolan-2-yl]methanone?
The InChIKey is FWIMEOXCWLLWPX-PIJUOVFKSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-10(2)8-14-11-5-6-15(9-11)13(16)12-4-3-7-17-12/h10-12,14H,3-9H2,1-2H3/t11?,12-/m1/s1.
What are the key properties of [3-(2-methylpropylamino)pyrrolidin-1-yl]-[(2R)-oxolan-2-yl]methanone?
[3-(2-methylpropylamino)pyrrolidin-1-yl]-[(2R)-oxolan-2-yl]methanone has a molecular weight of 240.35 g/mol, XLogP of 1.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-methylpropylamino)pyrrolidin-1-yl]-[(2R)-oxolan-2-yl]methanone is sourced from PubChem (CID 154498242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).