[(1R,3S)-3-(2-aminoethoxy)-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)methanone

C19H27N3O3 — CID 72850307

IUPAC[(1R,3S)-3-(2-aminoethoxy)-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)methanone
SMILESNCCO[C@H]1C[C@@H](O)C12CCN(C(=O)c1cnc3c(c1)CCC3)CC2
InChIInChI=1S/C19H27N3O3/c20-6-9-25-17-11-16(23)19(17)4-7-22(8-5-19)18(24)14-10-13-2-1-3-15(13)21-12-14/h10,12,16-17,23H,1-9,11,20H2/t16-,17+/m1/s1
InChIKeyKSCSRHYCDYMZKC-SJORKVTESA-N
MW345.44 g/mol
LogP0.90
Rot. Bonds4

About [(1R,3S)-3-(2-aminoethoxy)-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)methanone

[(1R,3S)-3-(2-aminoethoxy)-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)methanone (PubChem CID 72850307) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is [(1R,3S)-3-(2-aminoethoxy)-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)methanone.

Molecular Properties

Compound Name[(1R,3S)-3-(2-aminoethoxy)-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)methanone
PubChem CID72850307
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC Name[(1R,3S)-3-(2-aminoethoxy)-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)methanone
SMILESNCCO[C@H]1C[C@@H](O)C12CCN(C(=O)c1cnc3c(c1)CCC3)CC2
InChIInChI=1S/C19H27N3O3/c20-6-9-25-17-11-16(23)19(17)4-7-22(8-5-19)18(24)14-10-13-2-1-3-15(13)21-12-14/h10,12,16-17,23H,1-9,11,20H2/t16-,17+/m1/s1
InChIKeyKSCSRHYCDYMZKC-SJORKVTESA-N
XLogP0.90
TPSA88.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [(1R,3S)-3-(2-aminoethoxy)-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)methanone with MolForge

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Related Compounds

[(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]-(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
6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl-[(3S,4R)-3,4-dihydroxy-4-methylpiperidin-1-yl]methanone
CID 72850528
[(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
[(1R,3S)-3-(2-aminoethoxy)-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-(2-fluoro-4-methylphenyl)methanone;hydrochloride
CID 154896563
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-(2-aminoethoxy)-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-[5-(hydroxymethyl)furan-2-yl]methanone
CID 86283754
(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-(5-methyl-3-pyridinyl)methanone
CID 111470335
(2-amino-5,6,7,8-tetrahydroquinazolin-4-yl)-[(1S,3R)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]methanone
CID 133117489
1-[(1R,3S)-3-(2-aminoethoxy)-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-3-(2-fluorophenyl)propan-1-one
CID 72938779
1-[(1S,3R)-3-(2-aminoethoxy)-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone
CID 133110970

Frequently Asked Questions

What is the IUPAC name of [(1R,3S)-3-(2-aminoethoxy)-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)methanone?
The IUPAC name of [(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) is [(1R,3S)-3-(2-aminoethoxy)-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)methanone.
What is the SMILES notation for [(1R,3S)-3-(2-aminoethoxy)-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)methanone?
The canonical SMILES for [(1R,3S)-3-(2-aminoethoxy)-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)methanone is NCCO[C@H]1C[C@@H](O)C12CCN(C(=O)c1cnc3c(c1)CCC3)CC2.
What is the InChIKey of [(1R,3S)-3-(2-aminoethoxy)-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)methanone?
The InChIKey is KSCSRHYCDYMZKC-SJORKVTESA-N. The full InChI is InChI=1S/C19H27N3O3/c20-6-9-25-17-11-16(23)19(17)4-7-22(8-5-19)18(24)14-10-13-2-1-3-15(13)21-12-14/h10,12,16-17,23H,1-9,11,20H2/t16-,17+/m1/s1.
What are the key properties of [(1R,3S)-3-(2-aminoethoxy)-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)methanone?
[(1R,3S)-3-(2-aminoethoxy)-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)methanone has a molecular weight of 345.44 g/mol, XLogP of 0.90, 4 rotatable bonds, 2 hydrogen bond donors, and 5 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]-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)methanone is sourced from PubChem (CID 72850307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).