(4R)-1-methyl-8-(2-methyl-5-propan-2-ylfuran-3-carbonyl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid

C19H26N2O5 — CID 97207241

About (4R)-1-methyl-8-(2-methyl-5-propan-2-ylfuran-3-carbonyl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid

(4R)-1-methyl-8-(2-methyl-5-propan-2-ylfuran-3-carbonyl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid (PubChem CID 97207241) has the molecular formula C19H26N2O5 and a molecular weight of 362.43 g/mol. Its IUPAC name is (4R)-1-methyl-8-(2-methyl-5-propan-2-ylfuran-3-carbonyl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid.

Molecular Properties

• Compound Name: (4R)-1-methyl-8-(2-methyl-5-propan-2-ylfuran-3-carbonyl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
• PubChem CID: 97207241
• Molecular Formula: C19H26N2O5
• Molecular Weight: 362.43 g/mol
• Exact Mass: 362.18
• IUPAC Name: (4R)-1-methyl-8-(2-methyl-5-propan-2-ylfuran-3-carbonyl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
• SMILES: Cc1oc(C(C)C)cc1C(=O)N1CCC2(CC1)[C@H](C(=O)O)CC(=O)N2C
• InChI: InChI=1S/C19H26N2O5/c1-11(2)15-9-13(12(3)26-15)17(23)21-7-5-19(6-8-21)14(18(24)25)10-16(22)20(19)4/h9,11,14H,5-8,10H2,1-4H3,(H,24,25)/t14-/m0/s1
• InChIKey: XGMKLSNJVPUYHK-AWEZNQCLSA-N
• XLogP: 2.25
• TPSA: 91.06 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	362.43
LogP ≤ 5	2.25
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (4R)-1-methyl-8-(2-methyl-5-propan-2-ylfuran-3-carbonyl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid?

The IUPAC name of (4R)-1-methyl-8-(2-methyl-5-propan-2-ylfuran-3-carbonyl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid (CID 97207241) is (4R)-1-methyl-8-(2-methyl-5-propan-2-ylfuran-3-carbonyl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid.

What is the SMILES notation for (4R)-1-methyl-8-(2-methyl-5-propan-2-ylfuran-3-carbonyl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid?

The canonical SMILES for (4R)-1-methyl-8-(2-methyl-5-propan-2-ylfuran-3-carbonyl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid is Cc1oc(C(C)C)cc1C(=O)N1CCC2(CC1)[C@H](C(=O)O)CC(=O)N2C.

What is the InChIKey of (4R)-1-methyl-8-(2-methyl-5-propan-2-ylfuran-3-carbonyl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid?

The InChIKey is XGMKLSNJVPUYHK-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H26N2O5/c1-11(2)15-9-13(12(3)26-15)17(23)21-7-5-19(6-8-21)14(18(24)25)10-16(22)20(19)4/h9,11,14H,5-8,10H2,1-4H3,(H,24,25)/t14-/m0/s1.

What are the key properties of (4R)-1-methyl-8-(2-methyl-5-propan-2-ylfuran-3-carbonyl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid?

(4R)-1-methyl-8-(2-methyl-5-propan-2-ylfuran-3-carbonyl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid has a molecular weight of 362.43 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (4R)-1-methyl-8-(2-methyl-5-propan-2-ylfuran-3-carbonyl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid is sourced from PubChem (CID 97207241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).