methyl 2-methyl-6-[(2S)-3-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopropyl]pyridine-3-carboxylate

C20H30N2O6 — CID 10548668

About methyl 2-methyl-6-[(2S)-3-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopropyl]pyridine-3-carboxylate

methyl 2-methyl-6-[(2S)-3-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopropyl]pyridine-3-carboxylate (PubChem CID 10548668) has the molecular formula C20H30N2O6 and a molecular weight of 394.47 g/mol. Its IUPAC name is methyl 2-methyl-6-[(2S)-3-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopropyl]pyridine-3-carboxylate.

Molecular Properties

• Compound Name: methyl 2-methyl-6-[(2S)-3-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopropyl]pyridine-3-carboxylate
• PubChem CID: 10548668
• Molecular Formula: C20H30N2O6
• Molecular Weight: 394.47 g/mol
• Exact Mass: 394.21
• IUPAC Name: methyl 2-methyl-6-[(2S)-3-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopropyl]pyridine-3-carboxylate
• SMILES: COC(=O)c1ccc(C[C@H](NC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)nc1C
• InChI: InChI=1S/C20H30N2O6/c1-12-14(16(23)26-8)10-9-13(21-12)11-15(17(24)27-19(2,3)4)22-18(25)28-20(5,6)7/h9-10,15H,11H2,1-8H3,(H,22,25)/t15-/m0/s1
• InChIKey: AJZNFBFZEGHAHX-HNNXBMFYSA-N
• XLogP: 2.95
• TPSA: 103.82 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	394.47
LogP ≤ 5	2.95
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-6-[(2S)-3-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopropyl]pyridine-3-carboxylate?

The IUPAC name of methyl 2-methyl-6-[(2S)-3-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopropyl]pyridine-3-carboxylate (CID 10548668) is methyl 2-methyl-6-[(2S)-3-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopropyl]pyridine-3-carboxylate.

What is the SMILES notation for methyl 2-methyl-6-[(2S)-3-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopropyl]pyridine-3-carboxylate?

The canonical SMILES for methyl 2-methyl-6-[(2S)-3-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopropyl]pyridine-3-carboxylate is COC(=O)c1ccc(C[C@H](NC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)nc1C.

What is the InChIKey of methyl 2-methyl-6-[(2S)-3-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopropyl]pyridine-3-carboxylate?

The InChIKey is AJZNFBFZEGHAHX-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H30N2O6/c1-12-14(16(23)26-8)10-9-13(21-12)11-15(17(24)27-19(2,3)4)22-18(25)28-20(5,6)7/h9-10,15H,11H2,1-8H3,(H,22,25)/t15-/m0/s1.

What are the key properties of methyl 2-methyl-6-[(2S)-3-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopropyl]pyridine-3-carboxylate?

methyl 2-methyl-6-[(2S)-3-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopropyl]pyridine-3-carboxylate has a molecular weight of 394.47 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 2-methyl-6-[(2S)-3-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopropyl]pyridine-3-carboxylate is sourced from PubChem (CID 10548668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).