[(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 2,5-dimethylbenzoate

C₁₄H₁₈N₂O₄ — CID 8535106

About [(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 2,5-dimethylbenzoate

[(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 2,5-dimethylbenzoate (PubChem CID 8535106) has the molecular formula C₁₄H₁₈N₂O₄ and a molecular weight of 278.31 g/mol. Its IUPAC name is [(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 2,5-dimethylbenzoate.

Molecular Properties

• Compound Name: [(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 2,5-dimethylbenzoate
• PubChem CID: 8535106
• Molecular Formula: C₁₄H₁₈N₂O₄
• Molecular Weight: 278.31 g/mol
• Exact Mass: 278.13
• IUPAC Name: [(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 2,5-dimethylbenzoate
• SMILES: CNC(=O)NC(=O)[C@@H](C)OC(=O)c1cc(C)ccc1C
• InChI: InChI=1S/C14H18N2O4/c1-8-5-6-9(2)11(7-8)13(18)20-10(3)12(17)16-14(19)15-4/h5-7,10H,1-4H3,(H2,15,16,17,19)/t10-/m1/s1
• InChIKey: JUWIYNMELLVTGQ-SNVBAGLBSA-N
• XLogP: 1.30
• TPSA: 84.50 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	278.31
LogP ≤ 5	1.30
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 2,5-dimethylbenzoate?

The IUPAC name of [(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 2,5-dimethylbenzoate (CID 8535106) is [(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 2,5-dimethylbenzoate.

What is the SMILES notation for [(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 2,5-dimethylbenzoate?

The canonical SMILES for [(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 2,5-dimethylbenzoate is CNC(=O)NC(=O)[C@@H](C)OC(=O)c1cc(C)ccc1C.

What is the InChIKey of [(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 2,5-dimethylbenzoate?

The InChIKey is JUWIYNMELLVTGQ-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-8-5-6-9(2)11(7-8)13(18)20-10(3)12(17)16-14(19)15-4/h5-7,10H,1-4H3,(H2,15,16,17,19)/t10-/m1/s1.

What are the key properties of [(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 2,5-dimethylbenzoate?

[(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 2,5-dimethylbenzoate has a molecular weight of 278.31 g/mol, XLogP of 1.30, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 2,5-dimethylbenzoate is sourced from PubChem (CID 8535106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 8535106 — identifiers, structure, computed properties (public domain)

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