2-amino-N-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]acetamide

C11H19N3O3 — CID 114409712

About 2-amino-N-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]acetamide

2-amino-N-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]acetamide (PubChem CID 114409712) has the molecular formula C11H19N3O3 and a molecular weight of 241.29 g/mol. Its IUPAC name is 2-amino-N-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]acetamide.

Molecular Properties

• Compound Name: 2-amino-N-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]acetamide
• PubChem CID: 114409712
• Molecular Formula: C11H19N3O3
• Molecular Weight: 241.29 g/mol
• Exact Mass: 241.14
• IUPAC Name: 2-amino-N-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]acetamide
• SMILES: COCC1=CCN(C(=O)CNC(=O)CN)CC1
• InChI: InChI=1S/C11H19N3O3/c1-17-8-9-2-4-14(5-3-9)11(16)7-13-10(15)6-12/h2H,3-8,12H2,1H3,(H,13,15)
• InChIKey: RCFPMEJIQQSIOH-UHFFFAOYSA-N
• XLogP: -1.13
• TPSA: 84.66 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 17
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	241.29
LogP ≤ 5	-1.13
H-Bond Donors ≤ 5	2
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 2-amino-N-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]acetamide?

The IUPAC name of 2-amino-N-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]acetamide (CID 114409712) is 2-amino-N-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]acetamide.

What is the SMILES notation for 2-amino-N-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]acetamide?

The canonical SMILES for 2-amino-N-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]acetamide is COCC1=CCN(C(=O)CNC(=O)CN)CC1.

What is the InChIKey of 2-amino-N-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]acetamide?

The InChIKey is RCFPMEJIQQSIOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3/c1-17-8-9-2-4-14(5-3-9)11(16)7-13-10(15)6-12/h2H,3-8,12H2,1H3,(H,13,15).

What are the key properties of 2-amino-N-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]acetamide?

2-amino-N-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]acetamide has a molecular weight of 241.29 g/mol, XLogP of -1.13, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-N-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]acetamide is sourced from PubChem (CID 114409712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).