1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-(2-methylcyclohexyl)oxyethanone

C13H23NO3 — CID 111560893

IUPAC1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-(2-methylcyclohexyl)oxyethanone
SMILESCC1CCCCC1OCC(=O)N1CC[C@@H](O)C1
InChIInChI=1S/C13H23NO3/c1-10-4-2-3-5-12(10)17-9-13(16)14-7-6-11(15)8-14/h10-12,15H,2-9H2,1H3/t10?,11-,12?/m1/s1
InChIKeyMOUACWDXTMOARP-MOENNCHZSA-N
MW241.33 g/mol
LogP1.17
Rot. Bonds3

About 1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-(2-methylcyclohexyl)oxyethanone

1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-(2-methylcyclohexyl)oxyethanone (PubChem CID 111560893) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is 1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-(2-methylcyclohexyl)oxyethanone.

Molecular Properties

Compound Name1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-(2-methylcyclohexyl)oxyethanone
PubChem CID111560893
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Name1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-(2-methylcyclohexyl)oxyethanone
SMILESCC1CCCCC1OCC(=O)N1CC[C@@H](O)C1
InChIInChI=1S/C13H23NO3/c1-10-4-2-3-5-12(10)17-9-13(16)14-7-6-11(15)8-14/h10-12,15H,2-9H2,1H3/t10?,11-,12?/m1/s1
InChIKeyMOUACWDXTMOARP-MOENNCHZSA-N
XLogP1.17
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-[2-[(1R,2R)-2-methylcyclohexyl]oxyacetyl]piperidine-3-carboxylic acid
CID 99639050
2-[(1S,2R)-2-methylcyclohexyl]oxy-1-[(4R)-4-propan-2-ylazepan-1-yl]ethanone
CID 124858715
2-[(1R,2R)-2-methylcyclohexyl]oxy-1-[(4R)-4-propan-2-ylazepan-1-yl]ethanone
CID 124858714
1-[(3R)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-2-[(1R,2S)-2-methylcyclohexyl]oxyethanone
CID 124691199
1-[2-(2-methylcyclohexyl)oxyacetyl]piperidine-4-carbohydrazide
CID 63575068
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(2-methylcyclohexyl)oxyethanone
CID 120816436
1-[(3S)-3-hydroxypyrrolidin-1-yl]-2-methylsulfanyloxyethanone
CID 167101196
(2R)-1-[2-(2-methylcyclohexyl)oxyacetyl]pyrrolidine-2-carboxylic acid
CID 119372189
2-[(1R,2R)-2-methylcyclohexyl]oxy-1-[(2S)-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]ethanone
CID 129326613
1-[2-[(1S,2S)-2-methylcyclohexyl]oxyacetyl]-4-phenylpiperidine-4-carboxylic acid
CID 124693096
1-(2-methylcyclohexyl)oxybutan-2-one
CID 62040617
1-[(2S)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-2-[(1R,2S)-2-methylcyclohexyl]oxyethanone
CID 96996840

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-(2-methylcyclohexyl)oxyethanone?
The IUPAC name of 1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-(2-methylcyclohexyl)oxyethanone (CID 111560893) is 1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-(2-methylcyclohexyl)oxyethanone.
What is the SMILES notation for 1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-(2-methylcyclohexyl)oxyethanone?
The canonical SMILES for 1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-(2-methylcyclohexyl)oxyethanone is CC1CCCCC1OCC(=O)N1CC[C@@H](O)C1.
What is the InChIKey of 1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-(2-methylcyclohexyl)oxyethanone?
The InChIKey is MOUACWDXTMOARP-MOENNCHZSA-N. The full InChI is InChI=1S/C13H23NO3/c1-10-4-2-3-5-12(10)17-9-13(16)14-7-6-11(15)8-14/h10-12,15H,2-9H2,1H3/t10?,11-,12?/m1/s1.
What are the key properties of 1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-(2-methylcyclohexyl)oxyethanone?
1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-(2-methylcyclohexyl)oxyethanone has a molecular weight of 241.33 g/mol, XLogP of 1.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-(2-methylcyclohexyl)oxyethanone is sourced from PubChem (CID 111560893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).