(3R)-8-[(5-carboxyfuran-2-yl)methyl]-2-(cyclopropanecarbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid

C19H24N2O6 — CID 95720892

About (3R)-8-[(5-carboxyfuran-2-yl)methyl]-2-(cyclopropanecarbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid

(3R)-8-[(5-carboxyfuran-2-yl)methyl]-2-(cyclopropanecarbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid (PubChem CID 95720892) has the molecular formula C19H24N2O6 and a molecular weight of 376.41 g/mol. Its IUPAC name is (3R)-8-[(5-carboxyfuran-2-yl)methyl]-2-(cyclopropanecarbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid.

Molecular Properties

• Compound Name: (3R)-8-[(5-carboxyfuran-2-yl)methyl]-2-(cyclopropanecarbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
• PubChem CID: 95720892
• Molecular Formula: C19H24N2O6
• Molecular Weight: 376.41 g/mol
• Exact Mass: 376.16
• IUPAC Name: (3R)-8-[(5-carboxyfuran-2-yl)methyl]-2-(cyclopropanecarbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
• SMILES: O=C(O)c1ccc(CN2CCC3(CC2)C[C@H](C(=O)O)N(C(=O)C2CC2)C3)o1
• InChI: InChI=1S/C19H24N2O6/c22-16(12-1-2-12)21-11-19(9-14(21)17(23)24)5-7-20(8-6-19)10-13-3-4-15(27-13)18(25)26/h3-4,12,14H,1-2,5-11H2,(H,23,24)(H,25,26)/t14-/m1/s1
• InChIKey: WZNFYRHSHQXJSJ-CQSZACIVSA-N
• XLogP: 1.66
• TPSA: 111.29 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	376.41
LogP ≤ 5	1.66
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (3R)-8-[(5-carboxyfuran-2-yl)methyl]-2-(cyclopropanecarbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid?

The IUPAC name of (3R)-8-[(5-carboxyfuran-2-yl)methyl]-2-(cyclopropanecarbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid (CID 95720892) is (3R)-8-[(5-carboxyfuran-2-yl)methyl]-2-(cyclopropanecarbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid.

What is the SMILES notation for (3R)-8-[(5-carboxyfuran-2-yl)methyl]-2-(cyclopropanecarbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid?

The canonical SMILES for (3R)-8-[(5-carboxyfuran-2-yl)methyl]-2-(cyclopropanecarbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid is O=C(O)c1ccc(CN2CCC3(CC2)C[C@H](C(=O)O)N(C(=O)C2CC2)C3)o1.

What is the InChIKey of (3R)-8-[(5-carboxyfuran-2-yl)methyl]-2-(cyclopropanecarbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid?

The InChIKey is WZNFYRHSHQXJSJ-CQSZACIVSA-N. The full InChI is InChI=1S/C19H24N2O6/c22-16(12-1-2-12)21-11-19(9-14(21)17(23)24)5-7-20(8-6-19)10-13-3-4-15(27-13)18(25)26/h3-4,12,14H,1-2,5-11H2,(H,23,24)(H,25,26)/t14-/m1/s1.

What are the key properties of (3R)-8-[(5-carboxyfuran-2-yl)methyl]-2-(cyclopropanecarbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid?

(3R)-8-[(5-carboxyfuran-2-yl)methyl]-2-(cyclopropanecarbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid has a molecular weight of 376.41 g/mol, XLogP of 1.66, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-8-[(5-carboxyfuran-2-yl)methyl]-2-(cyclopropanecarbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid is sourced from PubChem (CID 95720892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).