[(2R)-6-[(5R,8S)-2-oxo-3-oxa-1-azaspiro[4.4]nonan-8-yl]-1,2,3,4-tetrahydronaphthalen-2-yl] acetate

C19H23NO4 — CID 118877393

IUPAC[(2R)-6-[(5R,8S)-2-oxo-3-oxa-1-azaspiro[4.4]nonan-8-yl]-1,2,3,4-tetrahydronaphthalen-2-yl] acetate
SMILESCC(=O)O[C@@H]1CCc2cc([C@H]3CC[C@]4(COC(=O)N4)C3)ccc2C1
InChIInChI=1S/C19H23NO4/c1-12(21)24-17-5-4-13-8-14(2-3-15(13)9-17)16-6-7-19(10-16)11-23-18(22)20-19/h2-3,8,16-17H,4-7,9-11H2,1H3,(H,20,22)/t16-,17+,19+/m0/s1
InChIKeyVBJMIWJBOXAMMQ-YQVWRLOYSA-N
MW329.40 g/mol
LogP2.85
Rot. Bonds2

About [(2R)-6-[(5R,8S)-2-oxo-3-oxa-1-azaspiro[4.4]nonan-8-yl]-1,2,3,4-tetrahydronaphthalen-2-yl] acetate

[(2R)-6-[(5R,8S)-2-oxo-3-oxa-1-azaspiro[4.4]nonan-8-yl]-1,2,3,4-tetrahydronaphthalen-2-yl] acetate (PubChem CID 118877393) has the molecular formula C19H23NO4 and a molecular weight of 329.40 g/mol. Its IUPAC name is [(2R)-6-[(5R,8S)-2-oxo-3-oxa-1-azaspiro[4.4]nonan-8-yl]-1,2,3,4-tetrahydronaphthalen-2-yl] acetate.

Molecular Properties

Compound Name[(2R)-6-[(5R,8S)-2-oxo-3-oxa-1-azaspiro[4.4]nonan-8-yl]-1,2,3,4-tetrahydronaphthalen-2-yl] acetate
PubChem CID118877393
Molecular FormulaC19H23NO4
Molecular Weight329.40 g/mol
Exact Mass329.16
IUPAC Name[(2R)-6-[(5R,8S)-2-oxo-3-oxa-1-azaspiro[4.4]nonan-8-yl]-1,2,3,4-tetrahydronaphthalen-2-yl] acetate
SMILESCC(=O)O[C@@H]1CCc2cc([C@H]3CC[C@]4(COC(=O)N4)C3)ccc2C1
InChIInChI=1S/C19H23NO4/c1-12(21)24-17-5-4-13-8-14(2-3-15(13)9-17)16-6-7-19(10-16)11-23-18(22)20-19/h2-3,8,16-17H,4-7,9-11H2,1H3,(H,20,22)/t16-,17+,19+/m0/s1
InChIKeyVBJMIWJBOXAMMQ-YQVWRLOYSA-N
XLogP2.85
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(2R)-6-[(5R,8S)-2-oxo-3-oxa-1-azaspiro[4.4]nonan-8-yl]-1,2,3,4-tetrahydronaphthalen-2-yl] acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(2R)-6-[(5R,8S)-2-oxo-3-oxa-1-azaspiro[4.4]nonan-8-yl]-1,2,3,4-tetrahydronaphthalen-2-yl] acetate?
The IUPAC name of [(2R)-6-[(5R,8S)-2-oxo-3-oxa-1-azaspiro[4.4]nonan-8-yl]-1,2,3,4-tetrahydronaphthalen-2-yl] acetate (CID 118877393) is [(2R)-6-[(5R,8S)-2-oxo-3-oxa-1-azaspiro[4.4]nonan-8-yl]-1,2,3,4-tetrahydronaphthalen-2-yl] acetate.
What is the SMILES notation for [(2R)-6-[(5R,8S)-2-oxo-3-oxa-1-azaspiro[4.4]nonan-8-yl]-1,2,3,4-tetrahydronaphthalen-2-yl] acetate?
The canonical SMILES for [(2R)-6-[(5R,8S)-2-oxo-3-oxa-1-azaspiro[4.4]nonan-8-yl]-1,2,3,4-tetrahydronaphthalen-2-yl] acetate is CC(=O)O[C@@H]1CCc2cc([C@H]3CC[C@]4(COC(=O)N4)C3)ccc2C1.
What is the InChIKey of [(2R)-6-[(5R,8S)-2-oxo-3-oxa-1-azaspiro[4.4]nonan-8-yl]-1,2,3,4-tetrahydronaphthalen-2-yl] acetate?
The InChIKey is VBJMIWJBOXAMMQ-YQVWRLOYSA-N. The full InChI is InChI=1S/C19H23NO4/c1-12(21)24-17-5-4-13-8-14(2-3-15(13)9-17)16-6-7-19(10-16)11-23-18(22)20-19/h2-3,8,16-17H,4-7,9-11H2,1H3,(H,20,22)/t16-,17+,19+/m0/s1.
What are the key properties of [(2R)-6-[(5R,8S)-2-oxo-3-oxa-1-azaspiro[4.4]nonan-8-yl]-1,2,3,4-tetrahydronaphthalen-2-yl] acetate?
[(2R)-6-[(5R,8S)-2-oxo-3-oxa-1-azaspiro[4.4]nonan-8-yl]-1,2,3,4-tetrahydronaphthalen-2-yl] acetate has a molecular weight of 329.40 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-6-[(5R,8S)-2-oxo-3-oxa-1-azaspiro[4.4]nonan-8-yl]-1,2,3,4-tetrahydronaphthalen-2-yl] acetate is sourced from PubChem (CID 118877393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).