(2R)-N-hydroxy-2-methyl-2-methylsulfonyl-4-[6-[2-[4-(2-oxa-6-azaspiro[3.3]heptan-6-ylmethyl)phenyl]ethynyl]-3-oxo-1H-pyrrolo[1,2-c]imidazol-2-yl]butanamide

C26H30N4O6S — CID 126651198

About (2R)-N-hydroxy-2-methyl-2-methylsulfonyl-4-[6-[2-[4-(2-oxa-6-azaspiro[3.3]heptan-6-ylmethyl)phenyl]ethynyl]-3-oxo-1H-pyrrolo[1,2-c]imidazol-2-yl]butanamide

(2R)-N-hydroxy-2-methyl-2-methylsulfonyl-4-[6-[2-[4-(2-oxa-6-azaspiro[3.3]heptan-6-ylmethyl)phenyl]ethynyl]-3-oxo-1H-pyrrolo[1,2-c]imidazol-2-yl]butanamide (PubChem CID 126651198) has the molecular formula C26H30N4O6S and a molecular weight of 526.62 g/mol. Its IUPAC name is (2R)-N-hydroxy-2-methyl-2-methylsulfonyl-4-[6-[2-[4-(2-oxa-6-azaspiro[3.3]heptan-6-ylmethyl)phenyl]ethynyl]-3-oxo-1H-pyrrolo[1,2-c]imidazol-2-yl]butanamide.

Molecular Properties

• Compound Name: (2R)-N-hydroxy-2-methyl-2-methylsulfonyl-4-[6-[2-[4-(2-oxa-6-azaspiro[3.3]heptan-6-ylmethyl)phenyl]ethynyl]-3-oxo-1H-pyrrolo[1,2-c]imidazol-2-yl]butanamide
• PubChem CID: 126651198
• Molecular Formula: C26H30N4O6S
• Molecular Weight: 526.62 g/mol
• Exact Mass: 526.19
• IUPAC Name: (2R)-N-hydroxy-2-methyl-2-methylsulfonyl-4-[6-[2-[4-(2-oxa-6-azaspiro[3.3]heptan-6-ylmethyl)phenyl]ethynyl]-3-oxo-1H-pyrrolo[1,2-c]imidazol-2-yl]butanamide
• SMILES: C[C@@](CCN1Cc2cc(C#Cc3ccc(CN4CC5(COC5)C4)cc3)cn2C1=O)(C(=O)NO)S(C)(=O)=O
• InChI: InChI=1S/C26H30N4O6S/c1-25(23(31)27-33,37(2,34)35)9-10-29-14-22-11-21(13-30(22)24(29)32)8-5-19-3-6-20(7-4-19)12-28-15-26(16-28)17-36-18-26/h3-4,6-7,11,13,33H,9-10,12,14-18H2,1-2H3,(H,27,31)/t25-/m1/s1
• InChIKey: OIQICGHXYHVPCD-RUZDIDTESA-N
• XLogP: 1.20
• TPSA: 121.18 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	526.62
LogP ≤ 5	1.20
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2R)-N-hydroxy-2-methyl-2-methylsulfonyl-4-[6-[2-[4-(2-oxa-6-azaspiro[3.3]heptan-6-ylmethyl)phenyl]ethynyl]-3-oxo-1H-pyrrolo[1,2-c]imidazol-2-yl]butanamide?

The IUPAC name of (2R)-N-hydroxy-2-methyl-2-methylsulfonyl-4-[6-[2-[4-(2-oxa-6-azaspiro[3.3]heptan-6-ylmethyl)phenyl]ethynyl]-3-oxo-1H-pyrrolo[1,2-c]imidazol-2-yl]butanamide (CID 126651198) is (2R)-N-hydroxy-2-methyl-2-methylsulfonyl-4-[6-[2-[4-(2-oxa-6-azaspiro[3.3]heptan-6-ylmethyl)phenyl]ethynyl]-3-oxo-1H-pyrrolo[1,2-c]imidazol-2-yl]butanamide.

What is the SMILES notation for (2R)-N-hydroxy-2-methyl-2-methylsulfonyl-4-[6-[2-[4-(2-oxa-6-azaspiro[3.3]heptan-6-ylmethyl)phenyl]ethynyl]-3-oxo-1H-pyrrolo[1,2-c]imidazol-2-yl]butanamide?

The canonical SMILES for (2R)-N-hydroxy-2-methyl-2-methylsulfonyl-4-[6-[2-[4-(2-oxa-6-azaspiro[3.3]heptan-6-ylmethyl)phenyl]ethynyl]-3-oxo-1H-pyrrolo[1,2-c]imidazol-2-yl]butanamide is C[C@@](CCN1Cc2cc(C#Cc3ccc(CN4CC5(COC5)C4)cc3)cn2C1=O)(C(=O)NO)S(C)(=O)=O.

What is the InChIKey of (2R)-N-hydroxy-2-methyl-2-methylsulfonyl-4-[6-[2-[4-(2-oxa-6-azaspiro[3.3]heptan-6-ylmethyl)phenyl]ethynyl]-3-oxo-1H-pyrrolo[1,2-c]imidazol-2-yl]butanamide?

The InChIKey is OIQICGHXYHVPCD-RUZDIDTESA-N. The full InChI is InChI=1S/C26H30N4O6S/c1-25(23(31)27-33,37(2,34)35)9-10-29-14-22-11-21(13-30(22)24(29)32)8-5-19-3-6-20(7-4-19)12-28-15-26(16-28)17-36-18-26/h3-4,6-7,11,13,33H,9-10,12,14-18H2,1-2H3,(H,27,31)/t25-/m1/s1.

What are the key properties of (2R)-N-hydroxy-2-methyl-2-methylsulfonyl-4-[6-[2-[4-(2-oxa-6-azaspiro[3.3]heptan-6-ylmethyl)phenyl]ethynyl]-3-oxo-1H-pyrrolo[1,2-c]imidazol-2-yl]butanamide?

(2R)-N-hydroxy-2-methyl-2-methylsulfonyl-4-[6-[2-[4-(2-oxa-6-azaspiro[3.3]heptan-6-ylmethyl)phenyl]ethynyl]-3-oxo-1H-pyrrolo[1,2-c]imidazol-2-yl]butanamide has a molecular weight of 526.62 g/mol, XLogP of 1.20, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-N-hydroxy-2-methyl-2-methylsulfonyl-4-[6-[2-[4-(2-oxa-6-azaspiro[3.3]heptan-6-ylmethyl)phenyl]ethynyl]-3-oxo-1H-pyrrolo[1,2-c]imidazol-2-yl]butanamide is sourced from PubChem (CID 126651198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).