8-(2,3-dihydro-1H-indene-2-carbonylamino)-5-oxaspiro[3.5]nonane-2-carboxylic acid

C19H23NO4 — CID 138029372

IUPAC8-(2,3-dihydro-1H-indene-2-carbonylamino)-5-oxaspiro[3.5]nonane-2-carboxylic acid
SMILESO=C(O)C1CC2(CC(NC(=O)C3Cc4ccccc4C3)CCO2)C1
InChIInChI=1S/C19H23NO4/c21-17(14-7-12-3-1-2-4-13(12)8-14)20-16-5-6-24-19(11-16)9-15(10-19)18(22)23/h1-4,14-16H,5-11H2,(H,20,21)(H,22,23)
InChIKeyQIMKORGUUPEHQD-UHFFFAOYSA-N
MW329.40 g/mol
LogP1.93
Rot. Bonds3

About 8-(2,3-dihydro-1H-indene-2-carbonylamino)-5-oxaspiro[3.5]nonane-2-carboxylic acid

8-(2,3-dihydro-1H-indene-2-carbonylamino)-5-oxaspiro[3.5]nonane-2-carboxylic acid (PubChem CID 138029372) has the molecular formula C19H23NO4 and a molecular weight of 329.40 g/mol. Its IUPAC name is 8-(2,3-dihydro-1H-indene-2-carbonylamino)-5-oxaspiro[3.5]nonane-2-carboxylic acid.

Molecular Properties

Compound Name8-(2,3-dihydro-1H-indene-2-carbonylamino)-5-oxaspiro[3.5]nonane-2-carboxylic acid
PubChem CID138029372
Molecular FormulaC19H23NO4
Molecular Weight329.40 g/mol
Exact Mass329.16
IUPAC Name8-(2,3-dihydro-1H-indene-2-carbonylamino)-5-oxaspiro[3.5]nonane-2-carboxylic acid
SMILESO=C(O)C1CC2(CC(NC(=O)C3Cc4ccccc4C3)CCO2)C1
InChIInChI=1S/C19H23NO4/c21-17(14-7-12-3-1-2-4-13(12)8-14)20-16-5-6-24-19(11-16)9-15(10-19)18(22)23/h1-4,14-16H,5-11H2,(H,20,21)(H,22,23)
InChIKeyQIMKORGUUPEHQD-UHFFFAOYSA-N
XLogP1.93
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 8-(2,3-dihydro-1H-indene-2-carbonylamino)-5-oxaspiro[3.5]nonane-2-carboxylic acid 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 8-(2,3-dihydro-1H-indene-2-carbonylamino)-5-oxaspiro[3.5]nonane-2-carboxylic acid?
The IUPAC name of 8-(2,3-dihydro-1H-indene-2-carbonylamino)-5-oxaspiro[3.5]nonane-2-carboxylic acid (CID 138029372) is 8-(2,3-dihydro-1H-indene-2-carbonylamino)-5-oxaspiro[3.5]nonane-2-carboxylic acid.
What is the SMILES notation for 8-(2,3-dihydro-1H-indene-2-carbonylamino)-5-oxaspiro[3.5]nonane-2-carboxylic acid?
The canonical SMILES for 8-(2,3-dihydro-1H-indene-2-carbonylamino)-5-oxaspiro[3.5]nonane-2-carboxylic acid is O=C(O)C1CC2(CC(NC(=O)C3Cc4ccccc4C3)CCO2)C1.
What is the InChIKey of 8-(2,3-dihydro-1H-indene-2-carbonylamino)-5-oxaspiro[3.5]nonane-2-carboxylic acid?
The InChIKey is QIMKORGUUPEHQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO4/c21-17(14-7-12-3-1-2-4-13(12)8-14)20-16-5-6-24-19(11-16)9-15(10-19)18(22)23/h1-4,14-16H,5-11H2,(H,20,21)(H,22,23).
What are the key properties of 8-(2,3-dihydro-1H-indene-2-carbonylamino)-5-oxaspiro[3.5]nonane-2-carboxylic acid?
8-(2,3-dihydro-1H-indene-2-carbonylamino)-5-oxaspiro[3.5]nonane-2-carboxylic acid has a molecular weight of 329.40 g/mol, XLogP of 1.93, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,3-dihydro-1H-indene-2-carbonylamino)-5-oxaspiro[3.5]nonane-2-carboxylic acid is sourced from PubChem (CID 138029372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).