1-[(2R)-2-[(2S)-1-[(2S)-3-(furan-2-ylmethoxy)-2-hydroxypropyl]pyrrolidin-2-yl]pyrrolidin-1-yl]ethanone

C18H28N2O4 — CID 95316604

IUPAC1-[(2R)-2-[(2S)-1-[(2S)-3-(furan-2-ylmethoxy)-2-hydroxypropyl]pyrrolidin-2-yl]pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCC[C@@H]1[C@@H]1CCCN1C[C@H](O)COCc1ccco1
InChIInChI=1S/C18H28N2O4/c1-14(21)20-9-3-7-18(20)17-6-2-8-19(17)11-15(22)12-23-13-16-5-4-10-24-16/h4-5,10,15,17-18,22H,2-3,6-9,11-13H2,1H3/t15-,17-,18+/m0/s1
InChIKeyZRPASJNCBWZBMD-RYQLBKOJSA-N
MW336.43 g/mol
LogP1.63
Rot. Bonds7

About 1-[(2R)-2-[(2S)-1-[(2S)-3-(furan-2-ylmethoxy)-2-hydroxypropyl]pyrrolidin-2-yl]pyrrolidin-1-yl]ethanone

1-[(2R)-2-[(2S)-1-[(2S)-3-(furan-2-ylmethoxy)-2-hydroxypropyl]pyrrolidin-2-yl]pyrrolidin-1-yl]ethanone (PubChem CID 95316604) has the molecular formula C18H28N2O4 and a molecular weight of 336.43 g/mol. Its IUPAC name is 1-[(2R)-2-[(2S)-1-[(2S)-3-(furan-2-ylmethoxy)-2-hydroxypropyl]pyrrolidin-2-yl]pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(2R)-2-[(2S)-1-[(2S)-3-(furan-2-ylmethoxy)-2-hydroxypropyl]pyrrolidin-2-yl]pyrrolidin-1-yl]ethanone
PubChem CID95316604
Molecular FormulaC18H28N2O4
Molecular Weight336.43 g/mol
Exact Mass336.20
IUPAC Name1-[(2R)-2-[(2S)-1-[(2S)-3-(furan-2-ylmethoxy)-2-hydroxypropyl]pyrrolidin-2-yl]pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCC[C@@H]1[C@@H]1CCCN1C[C@H](O)COCc1ccco1
InChIInChI=1S/C18H28N2O4/c1-14(21)20-9-3-7-18(20)17-6-2-8-19(17)11-15(22)12-23-13-16-5-4-10-24-16/h4-5,10,15,17-18,22H,2-3,6-9,11-13H2,1H3/t15-,17-,18+/m0/s1
InChIKeyZRPASJNCBWZBMD-RYQLBKOJSA-N
XLogP1.63
TPSA66.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.43
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-(furan-2-ylmethoxy)-2-hydroxypropyl]-N,N-dimethylpiperidine-4-carboxamide
CID 110882093
(2S)-1-(furan-2-ylmethoxy)-3-pyrrolidin-1-ylpropan-2-ol
CID 942774
1-(furan-2-ylmethoxy)-3-pyrrolidin-1-ylpropan-2-ol
CID 2771920
(2S)-1-(furan-2-ylmethoxy)-3-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]propan-2-ol
CID 95610423
1-(furan-2-ylmethoxy)-3-[4-(1-hydroxyethyl)piperidin-1-yl]propan-2-ol
CID 111116661
(2S)-1-(furan-2-ylmethoxy)-3-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]propan-2-ol
CID 95343819
(2R)-1-[(4R)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-3-(furan-2-ylmethoxy)propan-2-ol
CID 100841540
(3S)-2-[(2R)-3-(furan-2-ylmethoxy)-2-hydroxypropyl]-N-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 100852297
N-benzyl-1-[(2R)-3-(furan-2-ylmethoxy)-2-hydroxypropyl]piperidine-4-carboxamide
CID 32603172
1-(8-azaspiro[4.5]decan-8-yl)-3-(furan-2-ylmethoxy)propan-2-ol
CID 111437430
(2S)-1-(furan-2-ylmethoxy)-3-[(3S)-4-[(2S)-2-hydroxypropyl]-3-methylpiperazin-1-yl]propan-2-ol
CID 124778946
1-[3-(5-ethylfuran-2-yl)morpholin-4-yl]-3-(furan-2-ylmethoxy)propan-2-ol
CID 111434957

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-[(2S)-1-[(2S)-3-(furan-2-ylmethoxy)-2-hydroxypropyl]pyrrolidin-2-yl]pyrrolidin-1-yl]ethanone?
The IUPAC name of 1-[(2R)-2-[(2S)-1-[(2S)-3-(furan-2-ylmethoxy)-2-hydroxypropyl]pyrrolidin-2-yl]pyrrolidin-1-yl]ethanone (CID 95316604) is 1-[(2R)-2-[(2S)-1-[(2S)-3-(furan-2-ylmethoxy)-2-hydroxypropyl]pyrrolidin-2-yl]pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 1-[(2R)-2-[(2S)-1-[(2S)-3-(furan-2-ylmethoxy)-2-hydroxypropyl]pyrrolidin-2-yl]pyrrolidin-1-yl]ethanone?
The canonical SMILES for 1-[(2R)-2-[(2S)-1-[(2S)-3-(furan-2-ylmethoxy)-2-hydroxypropyl]pyrrolidin-2-yl]pyrrolidin-1-yl]ethanone is CC(=O)N1CCC[C@@H]1[C@@H]1CCCN1C[C@H](O)COCc1ccco1.
What is the InChIKey of 1-[(2R)-2-[(2S)-1-[(2S)-3-(furan-2-ylmethoxy)-2-hydroxypropyl]pyrrolidin-2-yl]pyrrolidin-1-yl]ethanone?
The InChIKey is ZRPASJNCBWZBMD-RYQLBKOJSA-N. The full InChI is InChI=1S/C18H28N2O4/c1-14(21)20-9-3-7-18(20)17-6-2-8-19(17)11-15(22)12-23-13-16-5-4-10-24-16/h4-5,10,15,17-18,22H,2-3,6-9,11-13H2,1H3/t15-,17-,18+/m0/s1.
What are the key properties of 1-[(2R)-2-[(2S)-1-[(2S)-3-(furan-2-ylmethoxy)-2-hydroxypropyl]pyrrolidin-2-yl]pyrrolidin-1-yl]ethanone?
1-[(2R)-2-[(2S)-1-[(2S)-3-(furan-2-ylmethoxy)-2-hydroxypropyl]pyrrolidin-2-yl]pyrrolidin-1-yl]ethanone has a molecular weight of 336.43 g/mol, XLogP of 1.63, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-[(2S)-1-[(2S)-3-(furan-2-ylmethoxy)-2-hydroxypropyl]pyrrolidin-2-yl]pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 95316604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).