[(3R,5S)-3-(cyclopropylmethoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrrolidin-1-ylmethanone

C17H28N2O3 — CID 97419485

IUPAC[(3R,5S)-3-(cyclopropylmethoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(N1CCCC1)N1CCC[C@]2(C[C@@H](OCC3CC3)CO2)C1
InChIInChI=1S/C17H28N2O3/c20-16(18-7-1-2-8-18)19-9-3-6-17(13-19)10-15(12-22-17)21-11-14-4-5-14/h14-15H,1-13H2/t15-,17+/m1/s1
InChIKeyPGTSKMMTADECBN-WBVHZDCISA-N
MW308.42 g/mol
LogP2.25
Rot. Bonds3

About [(3R,5S)-3-(cyclopropylmethoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrrolidin-1-ylmethanone

[(3R,5S)-3-(cyclopropylmethoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrrolidin-1-ylmethanone (PubChem CID 97419485) has the molecular formula C17H28N2O3 and a molecular weight of 308.42 g/mol. Its IUPAC name is [(3R,5S)-3-(cyclopropylmethoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[(3R,5S)-3-(cyclopropylmethoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrrolidin-1-ylmethanone
PubChem CID97419485
Molecular FormulaC17H28N2O3
Molecular Weight308.42 g/mol
Exact Mass308.21
IUPAC Name[(3R,5S)-3-(cyclopropylmethoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(N1CCCC1)N1CCC[C@]2(C[C@@H](OCC3CC3)CO2)C1
InChIInChI=1S/C17H28N2O3/c20-16(18-7-1-2-8-18)19-9-3-6-17(13-19)10-15(12-22-17)21-11-14-4-5-14/h14-15H,1-13H2/t15-,17+/m1/s1
InChIKeyPGTSKMMTADECBN-WBVHZDCISA-N
XLogP2.25
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(oxan-4-ylmethoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyrrolidin-1-ylmethanone
CID 131650344
2-(cyclohexen-1-yl)-1-[(3S,5S)-3-(cyclopropylmethoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]ethanone
CID 97419722
[(3S,5S)-3-(cyclopropylmethoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-(3,4-difluorophenyl)methanone
CID 97419710
[(3S,5S)-3-(cyclopropylmethoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-(6-methyl-2-pyridinyl)methanone
CID 97419705
[(3R,5R)-3-(cyclopropylmethoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-(6-methyl-2-pyridinyl)methanone
CID 124813665
[(3R,5S)-3-(cyclobutylmethoxy)-1-oxa-7-azaspiro[4.4]nonan-7-yl]-(thian-4-yl)methanone
CID 97477603
[(3S,5R)-3-(cyclopropylmethoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-(4-methyl-2-pyridinyl)methanone
CID 124792191
(3S,5R)-3-(cyclopropylmethoxy)-N,N-dimethyl-1-oxa-9-azaspiro[4.5]decane-9-sulfonamide
CID 124802411
2-(cyclohexen-1-yl)-1-[(3S,5S)-3-(cyclopropylmethoxy)-1-oxa-7-azaspiro[4.4]nonan-7-yl]ethanone
CID 97476098
[(3S,5S)-3-(cyclopropylmethoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-(6-methyl-3-pyridinyl)methanone;2,2,2-trifluoroacetic acid
CID 155831653
(3S,5S)-3-(cyclopropylmethoxy)-9-pyrimidin-2-yl-1-oxa-9-azaspiro[4.5]decane
CID 124521959
1-[(3S,5S)-3-ethoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]-2-methylsulfonylethanone
CID 97419688

Frequently Asked Questions

What is the IUPAC name of [(3R,5S)-3-(cyclopropylmethoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [(3R,5S)-3-(cyclopropylmethoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrrolidin-1-ylmethanone (CID 97419485) is [(3R,5S)-3-(cyclopropylmethoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [(3R,5S)-3-(cyclopropylmethoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [(3R,5S)-3-(cyclopropylmethoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrrolidin-1-ylmethanone is O=C(N1CCCC1)N1CCC[C@]2(C[C@@H](OCC3CC3)CO2)C1.
What is the InChIKey of [(3R,5S)-3-(cyclopropylmethoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is PGTSKMMTADECBN-WBVHZDCISA-N. The full InChI is InChI=1S/C17H28N2O3/c20-16(18-7-1-2-8-18)19-9-3-6-17(13-19)10-15(12-22-17)21-11-14-4-5-14/h14-15H,1-13H2/t15-,17+/m1/s1.
What are the key properties of [(3R,5S)-3-(cyclopropylmethoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrrolidin-1-ylmethanone?
[(3R,5S)-3-(cyclopropylmethoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 308.42 g/mol, XLogP of 2.25, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,5S)-3-(cyclopropylmethoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 97419485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).