(2R)-2-[9-(3-hydroxy-2-methylbenzoyl)-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]propanoic acid

C20H26N2O5 — CID 97117922

About (2R)-2-[9-(3-hydroxy-2-methylbenzoyl)-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]propanoic acid

(2R)-2-[9-(3-hydroxy-2-methylbenzoyl)-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]propanoic acid (PubChem CID 97117922) has the molecular formula C20H26N2O5 and a molecular weight of 374.44 g/mol. Its IUPAC name is (2R)-2-[9-(3-hydroxy-2-methylbenzoyl)-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]propanoic acid.

Molecular Properties

• Compound Name: (2R)-2-[9-(3-hydroxy-2-methylbenzoyl)-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]propanoic acid
• PubChem CID: 97117922
• Molecular Formula: C20H26N2O5
• Molecular Weight: 374.44 g/mol
• Exact Mass: 374.18
• IUPAC Name: (2R)-2-[9-(3-hydroxy-2-methylbenzoyl)-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]propanoic acid
• SMILES: Cc1c(O)cccc1C(=O)N1CCC2(CCC(=O)N([C@H](C)C(=O)O)C2)CC1
• InChI: InChI=1S/C20H26N2O5/c1-13-15(4-3-5-16(13)23)18(25)21-10-8-20(9-11-21)7-6-17(24)22(12-20)14(2)19(26)27/h3-5,14,23H,6-12H2,1-2H3,(H,26,27)/t14-/m1/s1
• InChIKey: IFMFFXJXVJKAJZ-CQSZACIVSA-N
• XLogP: 2.02
• TPSA: 98.15 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	374.44
LogP ≤ 5	2.02
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[9-(3-hydroxy-2-methylbenzoyl)-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]propanoic acid?

The IUPAC name of (2R)-2-[9-(3-hydroxy-2-methylbenzoyl)-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]propanoic acid (CID 97117922) is (2R)-2-[9-(3-hydroxy-2-methylbenzoyl)-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]propanoic acid.

What is the SMILES notation for (2R)-2-[9-(3-hydroxy-2-methylbenzoyl)-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]propanoic acid?

The canonical SMILES for (2R)-2-[9-(3-hydroxy-2-methylbenzoyl)-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]propanoic acid is Cc1c(O)cccc1C(=O)N1CCC2(CCC(=O)N([C@H](C)C(=O)O)C2)CC1.

What is the InChIKey of (2R)-2-[9-(3-hydroxy-2-methylbenzoyl)-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]propanoic acid?

The InChIKey is IFMFFXJXVJKAJZ-CQSZACIVSA-N. The full InChI is InChI=1S/C20H26N2O5/c1-13-15(4-3-5-16(13)23)18(25)21-10-8-20(9-11-21)7-6-17(24)22(12-20)14(2)19(26)27/h3-5,14,23H,6-12H2,1-2H3,(H,26,27)/t14-/m1/s1.

What are the key properties of (2R)-2-[9-(3-hydroxy-2-methylbenzoyl)-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]propanoic acid?

(2R)-2-[9-(3-hydroxy-2-methylbenzoyl)-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]propanoic acid has a molecular weight of 374.44 g/mol, XLogP of 2.02, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-[9-(3-hydroxy-2-methylbenzoyl)-3-oxo-2,9-diazaspiro[5.5]undecan-2-yl]propanoic acid is sourced from PubChem (CID 97117922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).