2-[(1R)-5-(triazol-2-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonane-7-carboxylic acid

C19H23N5O2 — CID 67406214

About 2-[(1R)-5-(triazol-2-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonane-7-carboxylic acid

2-[(1R)-5-(triazol-2-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonane-7-carboxylic acid (PubChem CID 67406214) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is 2-[(1R)-5-(triazol-2-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonane-7-carboxylic acid.

Molecular Properties

• Compound Name: 2-[(1R)-5-(triazol-2-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonane-7-carboxylic acid
• PubChem CID: 67406214
• Molecular Formula: C19H23N5O2
• Molecular Weight: 353.43 g/mol
• Exact Mass: 353.19
• IUPAC Name: 2-[(1R)-5-(triazol-2-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonane-7-carboxylic acid
• SMILES: O=C(O)N1CCC2(CC1)CN([C@@H]1CCc3cc(-n4nccn4)ccc31)C2
• InChI: InChI=1S/C19H23N5O2/c25-18(26)22-9-5-19(6-10-22)12-23(13-19)17-4-1-14-11-15(2-3-16(14)17)24-20-7-8-21-24/h2-3,7-8,11,17H,1,4-6,9-10,12-13H2,(H,25,26)/t17-/m1/s1
• InChIKey: VKXTTWCJKNAATI-QGZVFWFLSA-N
• XLogP: 2.33
• TPSA: 74.49 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	353.43
LogP ≤ 5	2.33
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-5-(triazol-2-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonane-7-carboxylic acid?

The IUPAC name of 2-[(1R)-5-(triazol-2-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonane-7-carboxylic acid (CID 67406214) is 2-[(1R)-5-(triazol-2-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonane-7-carboxylic acid.

What is the SMILES notation for 2-[(1R)-5-(triazol-2-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonane-7-carboxylic acid?

The canonical SMILES for 2-[(1R)-5-(triazol-2-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonane-7-carboxylic acid is O=C(O)N1CCC2(CC1)CN([C@@H]1CCc3cc(-n4nccn4)ccc31)C2.

What is the InChIKey of 2-[(1R)-5-(triazol-2-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonane-7-carboxylic acid?

The InChIKey is VKXTTWCJKNAATI-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H23N5O2/c25-18(26)22-9-5-19(6-10-22)12-23(13-19)17-4-1-14-11-15(2-3-16(14)17)24-20-7-8-21-24/h2-3,7-8,11,17H,1,4-6,9-10,12-13H2,(H,25,26)/t17-/m1/s1.

What are the key properties of 2-[(1R)-5-(triazol-2-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonane-7-carboxylic acid?

2-[(1R)-5-(triazol-2-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonane-7-carboxylic acid has a molecular weight of 353.43 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(1R)-5-(triazol-2-yl)-2,3-dihydro-1H-inden-1-yl]-2,7-diazaspiro[3.5]nonane-7-carboxylic acid is sourced from PubChem (CID 67406214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).