(2S,3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-3-piperidin-1-ylpyrrolidine-2-carboxylic acid

C15H26N2O4 — CID 118088657

About (2S,3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-3-piperidin-1-ylpyrrolidine-2-carboxylic acid

(2S,3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-3-piperidin-1-ylpyrrolidine-2-carboxylic acid (PubChem CID 118088657) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is (2S,3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-3-piperidin-1-ylpyrrolidine-2-carboxylic acid.

Molecular Properties

• Compound Name: (2S,3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-3-piperidin-1-ylpyrrolidine-2-carboxylic acid
• PubChem CID: 118088657
• Molecular Formula: C15H26N2O4
• Molecular Weight: 298.38 g/mol
• Exact Mass: 298.19
• IUPAC Name: (2S,3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-3-piperidin-1-ylpyrrolidine-2-carboxylic acid
• SMILES: CC(C)(C)OC(=O)N1CC[C@@H](N2CCCCC2)[C@H]1C(=O)O
• InChI: InChI=1S/C15H26N2O4/c1-15(2,3)21-14(20)17-10-7-11(12(17)13(18)19)16-8-5-4-6-9-16/h11-12H,4-10H2,1-3H3,(H,18,19)/t11-,12+/m1/s1
• InChIKey: GKXCBJHHBGELPZ-NEPJUHHUSA-N
• XLogP: 1.93
• TPSA: 70.08 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	298.38
LogP ≤ 5	1.93
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-3-piperidin-1-ylpyrrolidine-2-carboxylic acid?

The IUPAC name of (2S,3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-3-piperidin-1-ylpyrrolidine-2-carboxylic acid (CID 118088657) is (2S,3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-3-piperidin-1-ylpyrrolidine-2-carboxylic acid.

What is the SMILES notation for (2S,3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-3-piperidin-1-ylpyrrolidine-2-carboxylic acid?

The canonical SMILES for (2S,3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-3-piperidin-1-ylpyrrolidine-2-carboxylic acid is CC(C)(C)OC(=O)N1CC[C@@H](N2CCCCC2)[C@H]1C(=O)O.

What is the InChIKey of (2S,3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-3-piperidin-1-ylpyrrolidine-2-carboxylic acid?

The InChIKey is GKXCBJHHBGELPZ-NEPJUHHUSA-N. The full InChI is InChI=1S/C15H26N2O4/c1-15(2,3)21-14(20)17-10-7-11(12(17)13(18)19)16-8-5-4-6-9-16/h11-12H,4-10H2,1-3H3,(H,18,19)/t11-,12+/m1/s1.

What are the key properties of (2S,3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-3-piperidin-1-ylpyrrolidine-2-carboxylic acid?

(2S,3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-3-piperidin-1-ylpyrrolidine-2-carboxylic acid has a molecular weight of 298.38 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (2S,3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-3-piperidin-1-ylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 118088657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).