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

C20H28N2O3 — CID 70754698

IUPAC[(1R,3S)-3-(2-aminoethoxy)-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-(2,3-dihydro-1H-inden-5-yl)methanone
SMILESNCCO[C@H]1C[C@@H](O)C12CCN(C(=O)c1ccc3c(c1)CCC3)CC2
InChIInChI=1S/C20H28N2O3/c21-8-11-25-18-13-17(23)20(18)6-9-22(10-7-20)19(24)16-5-4-14-2-1-3-15(14)12-16/h4-5,12,17-18,23H,1-3,6-11,13,21H2/t17-,18+/m1/s1
InChIKeyDAJHEERENZDUOA-MSOLQXFVSA-N
MW344.46 g/mol
LogP1.51
Rot. Bonds4

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

[(1R,3S)-3-(2-aminoethoxy)-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-(2,3-dihydro-1H-inden-5-yl)methanone (PubChem CID 70754698) has the molecular formula C20H28N2O3 and a molecular weight of 344.46 g/mol. Its IUPAC name is [(1R,3S)-3-(2-aminoethoxy)-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-(2,3-dihydro-1H-inden-5-yl)methanone.

Molecular Properties

Compound Name[(1R,3S)-3-(2-aminoethoxy)-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-(2,3-dihydro-1H-inden-5-yl)methanone
PubChem CID70754698
Molecular FormulaC20H28N2O3
Molecular Weight344.46 g/mol
Exact Mass344.21
IUPAC Name[(1R,3S)-3-(2-aminoethoxy)-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-(2,3-dihydro-1H-inden-5-yl)methanone
SMILESNCCO[C@H]1C[C@@H](O)C12CCN(C(=O)c1ccc3c(c1)CCC3)CC2
InChIInChI=1S/C20H28N2O3/c21-8-11-25-18-13-17(23)20(18)6-9-22(10-7-20)19(24)16-5-4-14-2-1-3-15(14)12-16/h4-5,12,17-18,23H,1-3,6-11,13,21H2/t17-,18+/m1/s1
InChIKeyDAJHEERENZDUOA-MSOLQXFVSA-N
XLogP1.51
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[(1R,3S)-3-(2-aminoethoxy)-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)methanone
CID 72850307
[(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]-[5-(hydroxymethyl)furan-2-yl]methanone
CID 86283754
[(1R,3S)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-(1H-indol-6-yl)methanone
CID 97216081
[4-(2-aminoethyl)piperazin-1-yl]-(2,3-dihydro-1H-inden-5-yl)methanone
CID 43251620
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
1,3-benzothiazol-6-yl-[(1R,3S)-1-hydroxy-3-(2-hydroxyethoxy)-7-azaspiro[3.5]nonan-7-yl]methanone
CID 70765958
(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-(3-fluorophenyl)methanone
CID 111456864
1-[(1R,3S)-3-(2-aminoethoxy)-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-3-(2-fluorophenyl)propan-1-one
CID 72938779
[(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

Frequently Asked Questions

What is the IUPAC name of [(1R,3S)-3-(2-aminoethoxy)-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-(2,3-dihydro-1H-inden-5-yl)methanone?
The IUPAC name of [(1R,3S)-3-(2-aminoethoxy)-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-(2,3-dihydro-1H-inden-5-yl)methanone (CID 70754698) is [(1R,3S)-3-(2-aminoethoxy)-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-(2,3-dihydro-1H-inden-5-yl)methanone.
What is the SMILES notation for [(1R,3S)-3-(2-aminoethoxy)-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-(2,3-dihydro-1H-inden-5-yl)methanone?
The canonical SMILES for [(1R,3S)-3-(2-aminoethoxy)-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-(2,3-dihydro-1H-inden-5-yl)methanone is NCCO[C@H]1C[C@@H](O)C12CCN(C(=O)c1ccc3c(c1)CCC3)CC2.
What is the InChIKey of [(1R,3S)-3-(2-aminoethoxy)-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-(2,3-dihydro-1H-inden-5-yl)methanone?
The InChIKey is DAJHEERENZDUOA-MSOLQXFVSA-N. The full InChI is InChI=1S/C20H28N2O3/c21-8-11-25-18-13-17(23)20(18)6-9-22(10-7-20)19(24)16-5-4-14-2-1-3-15(14)12-16/h4-5,12,17-18,23H,1-3,6-11,13,21H2/t17-,18+/m1/s1.
What are the key properties of [(1R,3S)-3-(2-aminoethoxy)-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-(2,3-dihydro-1H-inden-5-yl)methanone?
[(1R,3S)-3-(2-aminoethoxy)-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-(2,3-dihydro-1H-inden-5-yl)methanone has a molecular weight of 344.46 g/mol, XLogP of 1.51, 4 rotatable bonds, 2 hydrogen bond donors, and 4 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]-(2,3-dihydro-1H-inden-5-yl)methanone is sourced from PubChem (CID 70754698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).