[(2S,5S)-2,5-bis(methoxymethyl)pyrrolidin-1-yl]-(2,3-dihydrofuran-2-yl)methanone

C13H21NO4 — CID 11736940

IUPAC[(2S,5S)-2,5-bis(methoxymethyl)pyrrolidin-1-yl]-(2,3-dihydrofuran-2-yl)methanone
SMILESCOC[C@@H]1CC[C@@H](COC)N1C(=O)C1CC=CO1
InChIInChI=1S/C13H21NO4/c1-16-8-10-5-6-11(9-17-2)14(10)13(15)12-4-3-7-18-12/h3,7,10-12H,4-6,8-9H2,1-2H3/t10-,11-,12?/m0/s1
InChIKeyABZMOLCFKIIVBM-NDQFZYFBSA-N
MW255.31 g/mol
LogP0.94
Rot. Bonds5

About [(2S,5S)-2,5-bis(methoxymethyl)pyrrolidin-1-yl]-(2,3-dihydrofuran-2-yl)methanone

[(2S,5S)-2,5-bis(methoxymethyl)pyrrolidin-1-yl]-(2,3-dihydrofuran-2-yl)methanone (PubChem CID 11736940) has the molecular formula C13H21NO4 and a molecular weight of 255.31 g/mol. Its IUPAC name is [(2S,5S)-2,5-bis(methoxymethyl)pyrrolidin-1-yl]-(2,3-dihydrofuran-2-yl)methanone.

Molecular Properties

Compound Name[(2S,5S)-2,5-bis(methoxymethyl)pyrrolidin-1-yl]-(2,3-dihydrofuran-2-yl)methanone
PubChem CID11736940
Molecular FormulaC13H21NO4
Molecular Weight255.31 g/mol
Exact Mass255.15
IUPAC Name[(2S,5S)-2,5-bis(methoxymethyl)pyrrolidin-1-yl]-(2,3-dihydrofuran-2-yl)methanone
SMILESCOC[C@@H]1CC[C@@H](COC)N1C(=O)C1CC=CO1
InChIInChI=1S/C13H21NO4/c1-16-8-10-5-6-11(9-17-2)14(10)13(15)12-4-3-7-18-12/h3,7,10-12H,4-6,8-9H2,1-2H3/t10-,11-,12?/m0/s1
InChIKeyABZMOLCFKIIVBM-NDQFZYFBSA-N
XLogP0.94
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2R,5R)-2,5-bis(methoxymethyl)pyrrolidin-1-yl]pent-4-en-1-one
CID 10944577
(2R)-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-methoxypent-4-en-1-one
CID 102317392
(2S)-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-methoxypent-4-en-1-one
CID 102317393

Frequently Asked Questions

What is the IUPAC name of [(2S,5S)-2,5-bis(methoxymethyl)pyrrolidin-1-yl]-(2,3-dihydrofuran-2-yl)methanone?
The IUPAC name of [(2S,5S)-2,5-bis(methoxymethyl)pyrrolidin-1-yl]-(2,3-dihydrofuran-2-yl)methanone (CID 11736940) is [(2S,5S)-2,5-bis(methoxymethyl)pyrrolidin-1-yl]-(2,3-dihydrofuran-2-yl)methanone.
What is the SMILES notation for [(2S,5S)-2,5-bis(methoxymethyl)pyrrolidin-1-yl]-(2,3-dihydrofuran-2-yl)methanone?
The canonical SMILES for [(2S,5S)-2,5-bis(methoxymethyl)pyrrolidin-1-yl]-(2,3-dihydrofuran-2-yl)methanone is COC[C@@H]1CC[C@@H](COC)N1C(=O)C1CC=CO1.
What is the InChIKey of [(2S,5S)-2,5-bis(methoxymethyl)pyrrolidin-1-yl]-(2,3-dihydrofuran-2-yl)methanone?
The InChIKey is ABZMOLCFKIIVBM-NDQFZYFBSA-N. The full InChI is InChI=1S/C13H21NO4/c1-16-8-10-5-6-11(9-17-2)14(10)13(15)12-4-3-7-18-12/h3,7,10-12H,4-6,8-9H2,1-2H3/t10-,11-,12?/m0/s1.
What are the key properties of [(2S,5S)-2,5-bis(methoxymethyl)pyrrolidin-1-yl]-(2,3-dihydrofuran-2-yl)methanone?
[(2S,5S)-2,5-bis(methoxymethyl)pyrrolidin-1-yl]-(2,3-dihydrofuran-2-yl)methanone has a molecular weight of 255.31 g/mol, XLogP of 0.94, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,5S)-2,5-bis(methoxymethyl)pyrrolidin-1-yl]-(2,3-dihydrofuran-2-yl)methanone is sourced from PubChem (CID 11736940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).