(2S)-2-[3-oxo-9-[(5-propylfuran-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-2-yl]propanoic acid

C20H30N2O4 — CID 97147000

About (2S)-2-[3-oxo-9-[(5-propylfuran-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-2-yl]propanoic acid

(2S)-2-[3-oxo-9-[(5-propylfuran-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-2-yl]propanoic acid (PubChem CID 97147000) has the molecular formula C20H30N2O4 and a molecular weight of 362.47 g/mol. Its IUPAC name is (2S)-2-[3-oxo-9-[(5-propylfuran-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-2-yl]propanoic acid.

Molecular Properties

• Compound Name: (2S)-2-[3-oxo-9-[(5-propylfuran-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-2-yl]propanoic acid
• PubChem CID: 97147000
• Molecular Formula: C20H30N2O4
• Molecular Weight: 362.47 g/mol
• Exact Mass: 362.22
• IUPAC Name: (2S)-2-[3-oxo-9-[(5-propylfuran-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-2-yl]propanoic acid
• SMILES: CCCc1ccc(CN2CCC3(CCC(=O)N([C@@H](C)C(=O)O)C3)CC2)o1
• InChI: InChI=1S/C20H30N2O4/c1-3-4-16-5-6-17(26-16)13-21-11-9-20(10-12-21)8-7-18(23)22(14-20)15(2)19(24)25/h5-6,15H,3-4,7-14H2,1-2H3,(H,24,25)/t15-/m0/s1
• InChIKey: WGGHCIKBHPBTIX-HNNXBMFYSA-N
• XLogP: 2.91
• TPSA: 73.99 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	362.47
LogP ≤ 5	2.91
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[3-oxo-9-[(5-propylfuran-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-2-yl]propanoic acid?

The IUPAC name of (2S)-2-[3-oxo-9-[(5-propylfuran-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-2-yl]propanoic acid (CID 97147000) is (2S)-2-[3-oxo-9-[(5-propylfuran-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-2-yl]propanoic acid.

What is the SMILES notation for (2S)-2-[3-oxo-9-[(5-propylfuran-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-2-yl]propanoic acid?

The canonical SMILES for (2S)-2-[3-oxo-9-[(5-propylfuran-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-2-yl]propanoic acid is CCCc1ccc(CN2CCC3(CCC(=O)N([C@@H](C)C(=O)O)C3)CC2)o1.

What is the InChIKey of (2S)-2-[3-oxo-9-[(5-propylfuran-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-2-yl]propanoic acid?

The InChIKey is WGGHCIKBHPBTIX-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H30N2O4/c1-3-4-16-5-6-17(26-16)13-21-11-9-20(10-12-21)8-7-18(23)22(14-20)15(2)19(24)25/h5-6,15H,3-4,7-14H2,1-2H3,(H,24,25)/t15-/m0/s1.

What are the key properties of (2S)-2-[3-oxo-9-[(5-propylfuran-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-2-yl]propanoic acid?

(2S)-2-[3-oxo-9-[(5-propylfuran-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-2-yl]propanoic acid has a molecular weight of 362.47 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-2-[3-oxo-9-[(5-propylfuran-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-2-yl]propanoic acid is sourced from PubChem (CID 97147000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).