1-[(2-methylpropan-2-yl)oxycarbonyl]-3-[(6-methyl-2-pyridinyl)methyl]pyrrolidine-3-carboxylic acid

C17H24N2O4 — CID 103719545

About 1-[(2-methylpropan-2-yl)oxycarbonyl]-3-[(6-methyl-2-pyridinyl)methyl]pyrrolidine-3-carboxylic acid

1-[(2-methylpropan-2-yl)oxycarbonyl]-3-[(6-methyl-2-pyridinyl)methyl]pyrrolidine-3-carboxylic acid (PubChem CID 103719545) has the molecular formula C17H24N2O4 and a molecular weight of 320.39 g/mol. Its IUPAC name is 1-[(2-methylpropan-2-yl)oxycarbonyl]-3-[(6-methyl-2-pyridinyl)methyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

• Compound Name: 1-[(2-methylpropan-2-yl)oxycarbonyl]-3-[(6-methyl-2-pyridinyl)methyl]pyrrolidine-3-carboxylic acid
• PubChem CID: 103719545
• Molecular Formula: C17H24N2O4
• Molecular Weight: 320.39 g/mol
• Exact Mass: 320.17
• IUPAC Name: 1-[(2-methylpropan-2-yl)oxycarbonyl]-3-[(6-methyl-2-pyridinyl)methyl]pyrrolidine-3-carboxylic acid
• SMILES: Cc1cccc(CC2(C(=O)O)CCN(C(=O)OC(C)(C)C)C2)n1
• InChI: InChI=1S/C17H24N2O4/c1-12-6-5-7-13(18-12)10-17(14(20)21)8-9-19(11-17)15(22)23-16(2,3)4/h5-7H,8-11H2,1-4H3,(H,20,21)
• InChIKey: PGXATEJVIUJGAU-UHFFFAOYSA-N
• XLogP: 2.64
• TPSA: 79.73 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	320.39
LogP ≤ 5	2.64
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylpropan-2-yl)oxycarbonyl]-3-[(6-methyl-2-pyridinyl)methyl]pyrrolidine-3-carboxylic acid?

The IUPAC name of 1-[(2-methylpropan-2-yl)oxycarbonyl]-3-[(6-methyl-2-pyridinyl)methyl]pyrrolidine-3-carboxylic acid (CID 103719545) is 1-[(2-methylpropan-2-yl)oxycarbonyl]-3-[(6-methyl-2-pyridinyl)methyl]pyrrolidine-3-carboxylic acid.

What is the SMILES notation for 1-[(2-methylpropan-2-yl)oxycarbonyl]-3-[(6-methyl-2-pyridinyl)methyl]pyrrolidine-3-carboxylic acid?

The canonical SMILES for 1-[(2-methylpropan-2-yl)oxycarbonyl]-3-[(6-methyl-2-pyridinyl)methyl]pyrrolidine-3-carboxylic acid is Cc1cccc(CC2(C(=O)O)CCN(C(=O)OC(C)(C)C)C2)n1.

What is the InChIKey of 1-[(2-methylpropan-2-yl)oxycarbonyl]-3-[(6-methyl-2-pyridinyl)methyl]pyrrolidine-3-carboxylic acid?

The InChIKey is PGXATEJVIUJGAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O4/c1-12-6-5-7-13(18-12)10-17(14(20)21)8-9-19(11-17)15(22)23-16(2,3)4/h5-7H,8-11H2,1-4H3,(H,20,21).

What are the key properties of 1-[(2-methylpropan-2-yl)oxycarbonyl]-3-[(6-methyl-2-pyridinyl)methyl]pyrrolidine-3-carboxylic acid?

1-[(2-methylpropan-2-yl)oxycarbonyl]-3-[(6-methyl-2-pyridinyl)methyl]pyrrolidine-3-carboxylic acid has a molecular weight of 320.39 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2-methylpropan-2-yl)oxycarbonyl]-3-[(6-methyl-2-pyridinyl)methyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 103719545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).