Methyl (2R,3R)-2-benzamido-3-(furan-2-yl)-2-methylpent-4-enoate

C₁₈H₁₉NO₄ — CID 101185727

About Methyl (2R,3R)-2-benzamido-3-(furan-2-yl)-2-methylpent-4-enoate

Methyl (2R,3R)-2-benzamido-3-(furan-2-yl)-2-methylpent-4-enoate (PubChem CID 101185727) has the molecular formula C₁₈H₁₉NO₄ and a molecular weight of 313.35 g/mol. Its IUPAC name is methyl (2R,3R)-2-benzamido-3-(furan-2-yl)-2-methylpent-4-enoate.

Molecular Properties

• Compound Name: Methyl (2R,3R)-2-benzamido-3-(furan-2-yl)-2-methylpent-4-enoate
• PubChem CID: 101185727
• Molecular Formula: C₁₈H₁₉NO₄
• Molecular Weight: 313.35 g/mol
• Exact Mass: 313.13
• IUPAC Name: methyl (2R,3R)-2-benzamido-3-(furan-2-yl)-2-methylpent-4-enoate
• SMILES: C=C[C@@H](c1ccco1)[C@@](C)(NC(=O)c1ccccc1)C(=O)OC
• InChI: InChI=1S/C18H19NO4/c1-4-14(15-11-8-12-23-15)18(2,17(21)22-3)19-16(20)13-9-6-5-7-10-13/h4-12,14H,1H2,2-3H3,(H,19,20)/t14-,18+/m0/s1
• InChIKey: JEYVRJPXNGPFIF-KBXCAEBGSA-N
• XLogP: 2.91
• TPSA: 68.54 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	313.35
LogP ≤ 5	2.91
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of Methyl (2R,3R)-2-benzamido-3-(furan-2-yl)-2-methylpent-4-enoate?

The IUPAC name of Methyl (2R,3R)-2-benzamido-3-(furan-2-yl)-2-methylpent-4-enoate (CID 101185727) is methyl (2R,3R)-2-benzamido-3-(furan-2-yl)-2-methylpent-4-enoate.

What is the SMILES notation for Methyl (2R,3R)-2-benzamido-3-(furan-2-yl)-2-methylpent-4-enoate?

The canonical SMILES for Methyl (2R,3R)-2-benzamido-3-(furan-2-yl)-2-methylpent-4-enoate is C=C[C@@H](c1ccco1)[C@@](C)(NC(=O)c1ccccc1)C(=O)OC.

What is the InChIKey of Methyl (2R,3R)-2-benzamido-3-(furan-2-yl)-2-methylpent-4-enoate?

The InChIKey is JEYVRJPXNGPFIF-KBXCAEBGSA-N. The full InChI is InChI=1S/C18H19NO4/c1-4-14(15-11-8-12-23-15)18(2,17(21)22-3)19-16(20)13-9-6-5-7-10-13/h4-12,14H,1H2,2-3H3,(H,19,20)/t14-,18+/m0/s1.

What are the key properties of Methyl (2R,3R)-2-benzamido-3-(furan-2-yl)-2-methylpent-4-enoate?

Methyl (2R,3R)-2-benzamido-3-(furan-2-yl)-2-methylpent-4-enoate has a molecular weight of 313.35 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 Methyl (2R,3R)-2-benzamido-3-(furan-2-yl)-2-methylpent-4-enoate is sourced from PubChem (CID 101185727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 101185727 — identifiers, structure, computed properties (public domain)

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