[(2S,3R)-3-aminooxolan-2-yl]-(3-cyclohexylpyrrolidin-1-yl)methanone

C15H26N2O2 — CID 138031933

IUPAC[(2S,3R)-3-aminooxolan-2-yl]-(3-cyclohexylpyrrolidin-1-yl)methanone
SMILESN[C@@H]1CCO[C@@H]1C(=O)N1CCC(C2CCCCC2)C1
InChIInChI=1S/C15H26N2O2/c16-13-7-9-19-14(13)15(18)17-8-6-12(10-17)11-4-2-1-3-5-11/h11-14H,1-10,16H2/t12?,13-,14+/m1/s1
InChIKeyUKXAGCRIJBACLZ-IUZLNWEFSA-N
MW266.38 g/mol
LogP1.53
Rot. Bonds2

About [(2S,3R)-3-aminooxolan-2-yl]-(3-cyclohexylpyrrolidin-1-yl)methanone

[(2S,3R)-3-aminooxolan-2-yl]-(3-cyclohexylpyrrolidin-1-yl)methanone (PubChem CID 138031933) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is [(2S,3R)-3-aminooxolan-2-yl]-(3-cyclohexylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name[(2S,3R)-3-aminooxolan-2-yl]-(3-cyclohexylpyrrolidin-1-yl)methanone
PubChem CID138031933
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name[(2S,3R)-3-aminooxolan-2-yl]-(3-cyclohexylpyrrolidin-1-yl)methanone
SMILESN[C@@H]1CCO[C@@H]1C(=O)N1CCC(C2CCCCC2)C1
InChIInChI=1S/C15H26N2O2/c16-13-7-9-19-14(13)15(18)17-8-6-12(10-17)11-4-2-1-3-5-11/h11-14H,1-10,16H2/t12?,13-,14+/m1/s1
InChIKeyUKXAGCRIJBACLZ-IUZLNWEFSA-N
XLogP1.53
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl-(3-amino-2-methylcyclohexyl)methanone
CID 62781364
1-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]ethanone
CID 126758675
(3R)-1-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carbonyl)piperidine-3-carboxylic acid
CID 81126775
1-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2-aminopropan-1-one
CID 43620385
3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl-(1-aminocyclopropyl)methanone
CID 65466572
1-[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-2,2-dimethylpropan-1-one
CID 135302075
3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl(piperidin-3-yl)methanone
CID 43620377
(3-amino-4-methylpyrrolidin-1-yl)-(3-methyloxolan-2-yl)methanone
CID 103575749
1-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethane-1,2-dione
CID 66795051
3,3a,4,5,6,7,8,8a-octahydro-1H-cyclohepta[c]pyrrole-2-carboxylic acid
CID 140973095
(4aS,8aS)-N-(4-sulfamoylphenyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carboxamide
CID 40874748
1-(3-cyclopentylpiperidin-1-yl)ethanone
CID 91592675

Frequently Asked Questions

What is the IUPAC name of [(2S,3R)-3-aminooxolan-2-yl]-(3-cyclohexylpyrrolidin-1-yl)methanone?
The IUPAC name of [(2S,3R)-3-aminooxolan-2-yl]-(3-cyclohexylpyrrolidin-1-yl)methanone (CID 138031933) is [(2S,3R)-3-aminooxolan-2-yl]-(3-cyclohexylpyrrolidin-1-yl)methanone.
What is the SMILES notation for [(2S,3R)-3-aminooxolan-2-yl]-(3-cyclohexylpyrrolidin-1-yl)methanone?
The canonical SMILES for [(2S,3R)-3-aminooxolan-2-yl]-(3-cyclohexylpyrrolidin-1-yl)methanone is N[C@@H]1CCO[C@@H]1C(=O)N1CCC(C2CCCCC2)C1.
What is the InChIKey of [(2S,3R)-3-aminooxolan-2-yl]-(3-cyclohexylpyrrolidin-1-yl)methanone?
The InChIKey is UKXAGCRIJBACLZ-IUZLNWEFSA-N. The full InChI is InChI=1S/C15H26N2O2/c16-13-7-9-19-14(13)15(18)17-8-6-12(10-17)11-4-2-1-3-5-11/h11-14H,1-10,16H2/t12?,13-,14+/m1/s1.
What are the key properties of [(2S,3R)-3-aminooxolan-2-yl]-(3-cyclohexylpyrrolidin-1-yl)methanone?
[(2S,3R)-3-aminooxolan-2-yl]-(3-cyclohexylpyrrolidin-1-yl)methanone has a molecular weight of 266.38 g/mol, XLogP of 1.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3R)-3-aminooxolan-2-yl]-(3-cyclohexylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 138031933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).