1-[(2R)-2-cyclopentylpyrrolidin-1-yl]-2-[[(2R)-oxolan-2-yl]methoxy]ethanone

C16H27NO3 — CID 99615375

IUPAC1-[(2R)-2-cyclopentylpyrrolidin-1-yl]-2-[[(2R)-oxolan-2-yl]methoxy]ethanone
SMILESO=C(COC[C@H]1CCCO1)N1CCC[C@@H]1C1CCCC1
InChIInChI=1S/C16H27NO3/c18-16(12-19-11-14-7-4-10-20-14)17-9-3-8-15(17)13-5-1-2-6-13/h13-15H,1-12H2/t14-,15-/m1/s1
InChIKeyJVZXQXVYDJNVTH-HUUCEWRRSA-N
MW281.40 g/mol
LogP2.36
Rot. Bonds5

About 1-[(2R)-2-cyclopentylpyrrolidin-1-yl]-2-[[(2R)-oxolan-2-yl]methoxy]ethanone

1-[(2R)-2-cyclopentylpyrrolidin-1-yl]-2-[[(2R)-oxolan-2-yl]methoxy]ethanone (PubChem CID 99615375) has the molecular formula C16H27NO3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 1-[(2R)-2-cyclopentylpyrrolidin-1-yl]-2-[[(2R)-oxolan-2-yl]methoxy]ethanone.

Molecular Properties

Compound Name1-[(2R)-2-cyclopentylpyrrolidin-1-yl]-2-[[(2R)-oxolan-2-yl]methoxy]ethanone
PubChem CID99615375
Molecular FormulaC16H27NO3
Molecular Weight281.40 g/mol
Exact Mass281.20
IUPAC Name1-[(2R)-2-cyclopentylpyrrolidin-1-yl]-2-[[(2R)-oxolan-2-yl]methoxy]ethanone
SMILESO=C(COC[C@H]1CCCO1)N1CCC[C@@H]1C1CCCC1
InChIInChI=1S/C16H27NO3/c18-16(12-19-11-14-7-4-10-20-14)17-9-3-8-15(17)13-5-1-2-6-13/h13-15H,1-12H2/t14-,15-/m1/s1
InChIKeyJVZXQXVYDJNVTH-HUUCEWRRSA-N
XLogP2.36
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-4-[2-[[(2S)-oxolan-2-yl]methoxy]acetyl]morpholine-3-carboxylic acid
CID 125152966
1,4-bis(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)butane-1,4-dione
CID 66795041
1-[(1R,8S)-4-azatricyclo[4.3.1.13,8]undecan-4-yl]-2-[[(2R)-oxan-2-yl]methoxy]ethanone
CID 98323854
1-(oxolan-2-ylmethoxy)propan-2-one
CID 43798300
2-(oxolan-2-ylmethoxy)-1-[2-(trifluoromethyl)-1,3-thiazolidin-3-yl]ethanone
CID 126841575
tert-butyl N-[[(2S,3R)-3-methyl-1-[2-[[(2R)-oxolan-2-yl]methoxy]acetyl]piperidin-2-yl]methyl]carbamate
CID 100839544
1-[4-(benzenesulfonyl)piperazin-1-yl]-2-[[(2R)-oxan-2-yl]methoxy]ethanone
CID 96573319
1-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-morpholin-2-ylethanone
CID 102726183
N-[2-(oxolan-2-yl)ethyl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carboxamide
CID 71990584
1-[2-(aminomethyl)pyrrolidin-1-yl]-3-(oxolan-2-ylmethoxy)propan-1-one
CID 119631117
(2R)-1-[3-[[(2R)-oxolan-2-yl]methoxy]propanoyl]piperidine-2-carboxylic acid
CID 129467409
(2S)-1-[3-[[(2S)-oxolan-2-yl]methoxy]propanoyl]piperidine-2-carboxylic acid
CID 129467574

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-cyclopentylpyrrolidin-1-yl]-2-[[(2R)-oxolan-2-yl]methoxy]ethanone?
The IUPAC name of 1-[(2R)-2-cyclopentylpyrrolidin-1-yl]-2-[[(2R)-oxolan-2-yl]methoxy]ethanone (CID 99615375) is 1-[(2R)-2-cyclopentylpyrrolidin-1-yl]-2-[[(2R)-oxolan-2-yl]methoxy]ethanone.
What is the SMILES notation for 1-[(2R)-2-cyclopentylpyrrolidin-1-yl]-2-[[(2R)-oxolan-2-yl]methoxy]ethanone?
The canonical SMILES for 1-[(2R)-2-cyclopentylpyrrolidin-1-yl]-2-[[(2R)-oxolan-2-yl]methoxy]ethanone is O=C(COC[C@H]1CCCO1)N1CCC[C@@H]1C1CCCC1.
What is the InChIKey of 1-[(2R)-2-cyclopentylpyrrolidin-1-yl]-2-[[(2R)-oxolan-2-yl]methoxy]ethanone?
The InChIKey is JVZXQXVYDJNVTH-HUUCEWRRSA-N. The full InChI is InChI=1S/C16H27NO3/c18-16(12-19-11-14-7-4-10-20-14)17-9-3-8-15(17)13-5-1-2-6-13/h13-15H,1-12H2/t14-,15-/m1/s1.
What are the key properties of 1-[(2R)-2-cyclopentylpyrrolidin-1-yl]-2-[[(2R)-oxolan-2-yl]methoxy]ethanone?
1-[(2R)-2-cyclopentylpyrrolidin-1-yl]-2-[[(2R)-oxolan-2-yl]methoxy]ethanone has a molecular weight of 281.40 g/mol, XLogP of 2.36, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-cyclopentylpyrrolidin-1-yl]-2-[[(2R)-oxolan-2-yl]methoxy]ethanone is sourced from PubChem (CID 99615375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).