Carumonam

C₁₂H₁₄N₆O₁₀S₂ — CID 6540466

About Carumonam

Carumonam (PubChem CID 6540466) has the molecular formula C₁₂H₁₄N₆O₁₀S₂ and a molecular weight of 466.41 g/mol. Its IUPAC name is 2-[(Z)-[1-(2-amino-1,3-thiazol-4-yl)-2-[[(2S,3S)-2-(carbamoyloxymethyl)-4-oxo-1-sulfoazetidin-3-yl]amino]-2-oxoethylidene]amino]oxyacetic acid.

Molecular Properties

• Compound Name: Carumonam
• PubChem CID: 6540466
• Molecular Formula: C₁₂H₁₄N₆O₁₀S₂
• Molecular Weight: 466.41 g/mol
• Exact Mass: 466.02
• IUPAC Name: 2-[(Z)-[1-(2-amino-1,3-thiazol-4-yl)-2-[[(2S,3S)-2-(carbamoyloxymethyl)-4-oxo-1-sulfoazetidin-3-yl]amino]-2-oxoethylidene]amino]oxyacetic acid
• SMILES: NC(=O)OC[C@@H]1[C@H](NC(=O)/C(=N\OCC(=O)O)c2csc(N)n2)C(=O)N1S(=O)(=O)O
• InChI: InChI=1S/C12H14N6O10S2/c13-11-15-4(3-29-11)7(17-28-2-6(19)20)9(21)16-8-5(1-27-12(14)23)18(10(8)22)30(24,25)26/h3,5,8H,1-2H2,(H2,13,15)(H2,14,23)(H,16,21)(H,19,20)(H,24,25,26)/b17-7-/t5-,8+/m1/s1
• InChIKey: UIMOJFJSJSIGLV-JNHMLNOCSA-N
• XLogP: -2.88
• TPSA: 253.90 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 12
• Rotatable Bonds: 9
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	466.41
LogP ≤ 5	-2.88
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of Carumonam?

The IUPAC name of Carumonam (CID 6540466) is 2-[(Z)-[1-(2-amino-1,3-thiazol-4-yl)-2-[[(2S,3S)-2-(carbamoyloxymethyl)-4-oxo-1-sulfoazetidin-3-yl]amino]-2-oxoethylidene]amino]oxyacetic acid.

What is the SMILES notation for Carumonam?

The canonical SMILES for Carumonam is NC(=O)OC[C@@H]1[C@H](NC(=O)/C(=N\OCC(=O)O)c2csc(N)n2)C(=O)N1S(=O)(=O)O.

What is the InChIKey of Carumonam?

The InChIKey is UIMOJFJSJSIGLV-JNHMLNOCSA-N. The full InChI is InChI=1S/C12H14N6O10S2/c13-11-15-4(3-29-11)7(17-28-2-6(19)20)9(21)16-8-5(1-27-12(14)23)18(10(8)22)30(24,25)26/h3,5,8H,1-2H2,(H2,13,15)(H2,14,23)(H,16,21)(H,19,20)(H,24,25,26)/b17-7-/t5-,8+/m1/s1.

What are the key properties of Carumonam?

Carumonam has a molecular weight of 466.41 g/mol, XLogP of -2.88, 9 rotatable bonds, 5 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for Carumonam is sourced from PubChem (CID 6540466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 6540466 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 521 — approved-drug record (CC BY-SA 4.0)

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