[(1R,3S)-3-(2-aminoethoxy)-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-[5-(hydroxymethyl)furan-2-yl]methanone

C16H24N2O5 — CID 86283754

IUPAC[(1R,3S)-3-(2-aminoethoxy)-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-[5-(hydroxymethyl)furan-2-yl]methanone
SMILESNCCO[C@H]1C[C@@H](O)C12CCN(C(=O)c1ccc(CO)o1)CC2
InChIInChI=1S/C16H24N2O5/c17-5-8-22-14-9-13(20)16(14)3-6-18(7-4-16)15(21)12-2-1-11(10-19)23-12/h1-2,13-14,19-20H,3-10,17H2/t13-,14+/m1/s1
InChIKeyCJXKEZFVUWTGTJ-KGLIPLIRSA-N
MW324.38 g/mol
LogP0.10
Rot. Bonds5

About [(1R,3S)-3-(2-aminoethoxy)-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-[5-(hydroxymethyl)furan-2-yl]methanone

[(1R,3S)-3-(2-aminoethoxy)-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-[5-(hydroxymethyl)furan-2-yl]methanone (PubChem CID 86283754) has the molecular formula C16H24N2O5 and a molecular weight of 324.38 g/mol. Its IUPAC name is [(1R,3S)-3-(2-aminoethoxy)-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-[5-(hydroxymethyl)furan-2-yl]methanone.

Molecular Properties

Compound Name[(1R,3S)-3-(2-aminoethoxy)-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-[5-(hydroxymethyl)furan-2-yl]methanone
PubChem CID86283754
Molecular FormulaC16H24N2O5
Molecular Weight324.38 g/mol
Exact Mass324.17
IUPAC Name[(1R,3S)-3-(2-aminoethoxy)-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-[5-(hydroxymethyl)furan-2-yl]methanone
SMILESNCCO[C@H]1C[C@@H](O)C12CCN(C(=O)c1ccc(CO)o1)CC2
InChIInChI=1S/C16H24N2O5/c17-5-8-22-14-9-13(20)16(14)3-6-18(7-4-16)15(21)12-2-1-11(10-19)23-12/h1-2,13-14,19-20H,3-10,17H2/t13-,14+/m1/s1
InChIKeyCJXKEZFVUWTGTJ-KGLIPLIRSA-N
XLogP0.10
TPSA109.16 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 50.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

[(1R,3S)-3-(2-aminoethoxy)-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-(furan-3-yl)methanone
CID 72865603
[(1R,3S)-3-(2-aminoethoxy)-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-(2-chlorophenyl)methanone
CID 72862589
[(1R,3S)-3-(2-aminoethoxy)-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-(2-fluoro-4-methylphenyl)methanone;hydrochloride
CID 154896563
[(1R,3S)-3-(2-aminoethoxy)-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-(2,3-dihydro-1H-inden-5-yl)methanone
CID 70754698
[(1R,3S)-3-(2-aminoethoxy)-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-[5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]methanone;hydrochloride
CID 154896707
[(1S,3R)-3-(2-aminoethoxy)-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-(7-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone
CID 133132279
1-[(1R,3S)-3-(2-aminoethoxy)-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-3-(2-fluorophenyl)propan-1-one
CID 72938779
1-[(1R,3S)-3-(2-aminoethoxy)-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-3-(2-methylphenyl)propan-1-one
CID 72849763
1-[(1R,3S)-3-(2-aminoethoxy)-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-2-(2-chloro-6-fluorophenyl)ethanone
CID 70726740
(1S,3R)-3-(2-aminoethoxy)-7-(1-benzofuran-2-ylmethyl)-7-azaspiro[3.5]nonan-1-ol
CID 133114365
1-[(1R,3S)-3-(2-aminoethoxy)-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-2-(5-amino-3-methylpyrazol-1-yl)ethanone
CID 70777964
[(1R,3S)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-(3-methylfuran-2-yl)methanone
CID 97100801

Frequently Asked Questions

What is the IUPAC name of [(1R,3S)-3-(2-aminoethoxy)-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-[5-(hydroxymethyl)furan-2-yl]methanone?
The IUPAC name of [(1R,3S)-3-(2-aminoethoxy)-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-[5-(hydroxymethyl)furan-2-yl]methanone (CID 86283754) is [(1R,3S)-3-(2-aminoethoxy)-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-[5-(hydroxymethyl)furan-2-yl]methanone.
What is the SMILES notation for [(1R,3S)-3-(2-aminoethoxy)-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-[5-(hydroxymethyl)furan-2-yl]methanone?
The canonical SMILES for [(1R,3S)-3-(2-aminoethoxy)-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-[5-(hydroxymethyl)furan-2-yl]methanone is NCCO[C@H]1C[C@@H](O)C12CCN(C(=O)c1ccc(CO)o1)CC2.
What is the InChIKey of [(1R,3S)-3-(2-aminoethoxy)-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-[5-(hydroxymethyl)furan-2-yl]methanone?
The InChIKey is CJXKEZFVUWTGTJ-KGLIPLIRSA-N. The full InChI is InChI=1S/C16H24N2O5/c17-5-8-22-14-9-13(20)16(14)3-6-18(7-4-16)15(21)12-2-1-11(10-19)23-12/h1-2,13-14,19-20H,3-10,17H2/t13-,14+/m1/s1.
What are the key properties of [(1R,3S)-3-(2-aminoethoxy)-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-[5-(hydroxymethyl)furan-2-yl]methanone?
[(1R,3S)-3-(2-aminoethoxy)-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-[5-(hydroxymethyl)furan-2-yl]methanone has a molecular weight of 324.38 g/mol, XLogP of 0.10, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,3S)-3-(2-aminoethoxy)-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-[5-(hydroxymethyl)furan-2-yl]methanone is sourced from PubChem (CID 86283754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).