Methyl (2R)-2-[(3-methoxyphenyl)methylcarbamoylamino]-4-methylpentanoate

C₁₆H₂₄N₂O₄ — CID 7640872

About Methyl (2R)-2-[(3-methoxyphenyl)methylcarbamoylamino]-4-methylpentanoate

Methyl (2R)-2-[(3-methoxyphenyl)methylcarbamoylamino]-4-methylpentanoate (PubChem CID 7640872) has the molecular formula C₁₆H₂₄N₂O₄ and a molecular weight of 308.38 g/mol. Its IUPAC name is methyl (2R)-2-[(3-methoxyphenyl)methylcarbamoylamino]-4-methylpentanoate.

Molecular Properties

• Compound Name: Methyl (2R)-2-[(3-methoxyphenyl)methylcarbamoylamino]-4-methylpentanoate
• PubChem CID: 7640872
• Molecular Formula: C₁₆H₂₄N₂O₄
• Molecular Weight: 308.38 g/mol
• Exact Mass: 308.17
• IUPAC Name: methyl (2R)-2-[(3-methoxyphenyl)methylcarbamoylamino]-4-methylpentanoate
• SMILES: COC(=O)[C@@H](CC(C)C)NC(=O)NCc1cccc(OC)c1
• InChI: InChI=1S/C16H24N2O4/c1-11(2)8-14(15(19)22-4)18-16(20)17-10-12-6-5-7-13(9-12)21-3/h5-7,9,11,14H,8,10H2,1-4H3,(H2,17,18,20)/t14-/m1/s1
• InChIKey: MIOZSTBGAJHFJJ-CQSZACIVSA-N
• XLogP: 2.08
• TPSA: 76.66 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	308.38
LogP ≤ 5	2.08
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of Methyl (2R)-2-[(3-methoxyphenyl)methylcarbamoylamino]-4-methylpentanoate?

The IUPAC name of Methyl (2R)-2-[(3-methoxyphenyl)methylcarbamoylamino]-4-methylpentanoate (CID 7640872) is methyl (2R)-2-[(3-methoxyphenyl)methylcarbamoylamino]-4-methylpentanoate.

What is the SMILES notation for Methyl (2R)-2-[(3-methoxyphenyl)methylcarbamoylamino]-4-methylpentanoate?

The canonical SMILES for Methyl (2R)-2-[(3-methoxyphenyl)methylcarbamoylamino]-4-methylpentanoate is COC(=O)[C@@H](CC(C)C)NC(=O)NCc1cccc(OC)c1.

What is the InChIKey of Methyl (2R)-2-[(3-methoxyphenyl)methylcarbamoylamino]-4-methylpentanoate?

The InChIKey is MIOZSTBGAJHFJJ-CQSZACIVSA-N. The full InChI is InChI=1S/C16H24N2O4/c1-11(2)8-14(15(19)22-4)18-16(20)17-10-12-6-5-7-13(9-12)21-3/h5-7,9,11,14H,8,10H2,1-4H3,(H2,17,18,20)/t14-/m1/s1.

What are the key properties of Methyl (2R)-2-[(3-methoxyphenyl)methylcarbamoylamino]-4-methylpentanoate?

Methyl (2R)-2-[(3-methoxyphenyl)methylcarbamoylamino]-4-methylpentanoate has a molecular weight of 308.38 g/mol, XLogP of 2.08, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for Methyl (2R)-2-[(3-methoxyphenyl)methylcarbamoylamino]-4-methylpentanoate is sourced from PubChem (CID 7640872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 7640872 — identifiers, structure, computed properties (public domain)

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