2-(6-methoxy-3-pyridinyl)-2-[(2-methylpropan-2-yl)oxycarbonyl-propan-2-ylamino]acetic acid

C16H24N2O5 — CID 104985044

About 2-(6-methoxy-3-pyridinyl)-2-[(2-methylpropan-2-yl)oxycarbonyl-propan-2-ylamino]acetic acid

2-(6-methoxy-3-pyridinyl)-2-[(2-methylpropan-2-yl)oxycarbonyl-propan-2-ylamino]acetic acid (PubChem CID 104985044) has the molecular formula C16H24N2O5 and a molecular weight of 324.38 g/mol. Its IUPAC name is 2-(6-methoxy-3-pyridinyl)-2-[(2-methylpropan-2-yl)oxycarbonyl-propan-2-ylamino]acetic acid.

Molecular Properties

• Compound Name: 2-(6-methoxy-3-pyridinyl)-2-[(2-methylpropan-2-yl)oxycarbonyl-propan-2-ylamino]acetic acid
• PubChem CID: 104985044
• Molecular Formula: C16H24N2O5
• Molecular Weight: 324.38 g/mol
• Exact Mass: 324.17
• IUPAC Name: 2-(6-methoxy-3-pyridinyl)-2-[(2-methylpropan-2-yl)oxycarbonyl-propan-2-ylamino]acetic acid
• SMILES: COc1ccc(C(C(=O)O)N(C(=O)OC(C)(C)C)C(C)C)cn1
• InChI: InChI=1S/C16H24N2O5/c1-10(2)18(15(21)23-16(3,4)5)13(14(19)20)11-7-8-12(22-6)17-9-11/h7-10,13H,1-6H3,(H,19,20)
• InChIKey: LZWORNXEHCGNGZ-UHFFFAOYSA-N
• XLogP: 2.86
• TPSA: 88.96 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	324.38
LogP ≤ 5	2.86
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-(6-methoxy-3-pyridinyl)-2-[(2-methylpropan-2-yl)oxycarbonyl-propan-2-ylamino]acetic acid?

The IUPAC name of 2-(6-methoxy-3-pyridinyl)-2-[(2-methylpropan-2-yl)oxycarbonyl-propan-2-ylamino]acetic acid (CID 104985044) is 2-(6-methoxy-3-pyridinyl)-2-[(2-methylpropan-2-yl)oxycarbonyl-propan-2-ylamino]acetic acid.

What is the SMILES notation for 2-(6-methoxy-3-pyridinyl)-2-[(2-methylpropan-2-yl)oxycarbonyl-propan-2-ylamino]acetic acid?

The canonical SMILES for 2-(6-methoxy-3-pyridinyl)-2-[(2-methylpropan-2-yl)oxycarbonyl-propan-2-ylamino]acetic acid is COc1ccc(C(C(=O)O)N(C(=O)OC(C)(C)C)C(C)C)cn1.

What is the InChIKey of 2-(6-methoxy-3-pyridinyl)-2-[(2-methylpropan-2-yl)oxycarbonyl-propan-2-ylamino]acetic acid?

The InChIKey is LZWORNXEHCGNGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O5/c1-10(2)18(15(21)23-16(3,4)5)13(14(19)20)11-7-8-12(22-6)17-9-11/h7-10,13H,1-6H3,(H,19,20).

What are the key properties of 2-(6-methoxy-3-pyridinyl)-2-[(2-methylpropan-2-yl)oxycarbonyl-propan-2-ylamino]acetic acid?

2-(6-methoxy-3-pyridinyl)-2-[(2-methylpropan-2-yl)oxycarbonyl-propan-2-ylamino]acetic acid has a molecular weight of 324.38 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(6-methoxy-3-pyridinyl)-2-[(2-methylpropan-2-yl)oxycarbonyl-propan-2-ylamino]acetic acid is sourced from PubChem (CID 104985044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).