(2,5-dihydroxypyrrol-1-yl) (2S)-3-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

C16H26N2O7 — CID 90695787

About (2,5-dihydroxypyrrol-1-yl) (2S)-3-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

(2,5-dihydroxypyrrol-1-yl) (2S)-3-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate (PubChem CID 90695787) has the molecular formula C16H26N2O7 and a molecular weight of 358.39 g/mol. Its IUPAC name is (2,5-dihydroxypyrrol-1-yl) (2S)-3-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate.

Molecular Properties

• Compound Name: (2,5-dihydroxypyrrol-1-yl) (2S)-3-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
• PubChem CID: 90695787
• Molecular Formula: C16H26N2O7
• Molecular Weight: 358.39 g/mol
• Exact Mass: 358.17
• IUPAC Name: (2,5-dihydroxypyrrol-1-yl) (2S)-3-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
• SMILES: CC(C)(C)OC[C@H](NC(=O)OC(C)(C)C)C(=O)On1c(O)ccc1O
• InChI: InChI=1S/C16H26N2O7/c1-15(2,3)23-9-10(17-14(22)24-16(4,5)6)13(21)25-18-11(19)7-8-12(18)20/h7-8,10,19-20H,9H2,1-6H3,(H,17,22)/t10-/m0/s1
• InChIKey: WMAGOTATKYJAGE-JTQLQIEISA-N
• XLogP: 1.56
• TPSA: 119.25 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	358.39
LogP ≤ 5	1.56
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (2,5-dihydroxypyrrol-1-yl) (2S)-3-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate?

The IUPAC name of (2,5-dihydroxypyrrol-1-yl) (2S)-3-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate (CID 90695787) is (2,5-dihydroxypyrrol-1-yl) (2S)-3-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate.

What is the SMILES notation for (2,5-dihydroxypyrrol-1-yl) (2S)-3-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate?

The canonical SMILES for (2,5-dihydroxypyrrol-1-yl) (2S)-3-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate is CC(C)(C)OC[C@H](NC(=O)OC(C)(C)C)C(=O)On1c(O)ccc1O.

What is the InChIKey of (2,5-dihydroxypyrrol-1-yl) (2S)-3-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate?

The InChIKey is WMAGOTATKYJAGE-JTQLQIEISA-N. The full InChI is InChI=1S/C16H26N2O7/c1-15(2,3)23-9-10(17-14(22)24-16(4,5)6)13(21)25-18-11(19)7-8-12(18)20/h7-8,10,19-20H,9H2,1-6H3,(H,17,22)/t10-/m0/s1.

What are the key properties of (2,5-dihydroxypyrrol-1-yl) (2S)-3-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate?

(2,5-dihydroxypyrrol-1-yl) (2S)-3-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate has a molecular weight of 358.39 g/mol, XLogP of 1.56, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (2,5-dihydroxypyrrol-1-yl) (2S)-3-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate is sourced from PubChem (CID 90695787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).