[1-(methylamino)-1-oxopropan-2-yl] prop-2-enoate

C₇H₁₁NO₃ — CID 19832802

About [1-(methylamino)-1-oxopropan-2-yl] prop-2-enoate

[1-(methylamino)-1-oxopropan-2-yl] prop-2-enoate (PubChem CID 19832802) has the molecular formula C₇H₁₁NO₃ and a molecular weight of 157.17 g/mol. Its IUPAC name is [1-(methylamino)-1-oxopropan-2-yl] prop-2-enoate.

Molecular Properties

• Compound Name: [1-(methylamino)-1-oxopropan-2-yl] prop-2-enoate
• PubChem CID: 19832802
• Molecular Formula: C₇H₁₁NO₃
• Molecular Weight: 157.17 g/mol
• Exact Mass: 157.07
• IUPAC Name: [1-(methylamino)-1-oxopropan-2-yl] prop-2-enoate
• SMILES: C=CC(=O)OC(C)C(=O)NC
• InChI: InChI=1S/C7H11NO3/c1-4-6(9)11-5(2)7(10)8-3/h4-5H,1H2,2-3H3,(H,8,10)
• InChIKey: NXQRWWNTDVDUMU-UHFFFAOYSA-N
• XLogP: -0.15
• TPSA: 55.40 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 11
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	157.17
LogP ≤ 5	-0.15
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [1-(methylamino)-1-oxopropan-2-yl] prop-2-enoate?

The IUPAC name of [1-(methylamino)-1-oxopropan-2-yl] prop-2-enoate (CID 19832802) is [1-(methylamino)-1-oxopropan-2-yl] prop-2-enoate.

What is the SMILES notation for [1-(methylamino)-1-oxopropan-2-yl] prop-2-enoate?

The canonical SMILES for [1-(methylamino)-1-oxopropan-2-yl] prop-2-enoate is C=CC(=O)OC(C)C(=O)NC.

What is the InChIKey of [1-(methylamino)-1-oxopropan-2-yl] prop-2-enoate?

The InChIKey is NXQRWWNTDVDUMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO3/c1-4-6(9)11-5(2)7(10)8-3/h4-5H,1H2,2-3H3,(H,8,10).

What are the key properties of [1-(methylamino)-1-oxopropan-2-yl] prop-2-enoate?

[1-(methylamino)-1-oxopropan-2-yl] prop-2-enoate has a molecular weight of 157.17 g/mol, XLogP of -0.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for [1-(methylamino)-1-oxopropan-2-yl] prop-2-enoate is sourced from PubChem (CID 19832802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 19832802 — identifiers, structure, computed properties (public domain)

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