5-methyl-1-[1-oxo-1-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]propan-2-yl]piperidine-3-carboxylic acid

C22H32N2O3 — CID 122121475

About 5-methyl-1-[1-oxo-1-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]propan-2-yl]piperidine-3-carboxylic acid

5-methyl-1-[1-oxo-1-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]propan-2-yl]piperidine-3-carboxylic acid (PubChem CID 122121475) has the molecular formula C22H32N2O3 and a molecular weight of 372.51 g/mol. Its IUPAC name is 5-methyl-1-[1-oxo-1-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]propan-2-yl]piperidine-3-carboxylic acid.

Molecular Properties

• Compound Name: 5-methyl-1-[1-oxo-1-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]propan-2-yl]piperidine-3-carboxylic acid
• PubChem CID: 122121475
• Molecular Formula: C22H32N2O3
• Molecular Weight: 372.51 g/mol
• Exact Mass: 372.24
• IUPAC Name: 5-methyl-1-[1-oxo-1-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]propan-2-yl]piperidine-3-carboxylic acid
• SMILES: CC1CC(C(=O)O)CN(C(C)C(=O)NC(C)c2ccc3c(c2)CCCC3)C1
• InChI: InChI=1S/C22H32N2O3/c1-14-10-20(22(26)27)13-24(12-14)16(3)21(25)23-15(2)18-9-8-17-6-4-5-7-19(17)11-18/h8-9,11,14-16,20H,4-7,10,12-13H2,1-3H3,(H,23,25)(H,26,27)
• InChIKey: LOLOGBPOTARDLM-UHFFFAOYSA-N
• XLogP: 3.17
• TPSA: 69.64 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	372.51
LogP ≤ 5	3.17
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-[1-oxo-1-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]propan-2-yl]piperidine-3-carboxylic acid?

The IUPAC name of 5-methyl-1-[1-oxo-1-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]propan-2-yl]piperidine-3-carboxylic acid (CID 122121475) is 5-methyl-1-[1-oxo-1-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]propan-2-yl]piperidine-3-carboxylic acid.

What is the SMILES notation for 5-methyl-1-[1-oxo-1-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]propan-2-yl]piperidine-3-carboxylic acid?

The canonical SMILES for 5-methyl-1-[1-oxo-1-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]propan-2-yl]piperidine-3-carboxylic acid is CC1CC(C(=O)O)CN(C(C)C(=O)NC(C)c2ccc3c(c2)CCCC3)C1.

What is the InChIKey of 5-methyl-1-[1-oxo-1-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]propan-2-yl]piperidine-3-carboxylic acid?

The InChIKey is LOLOGBPOTARDLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O3/c1-14-10-20(22(26)27)13-24(12-14)16(3)21(25)23-15(2)18-9-8-17-6-4-5-7-19(17)11-18/h8-9,11,14-16,20H,4-7,10,12-13H2,1-3H3,(H,23,25)(H,26,27).

What are the key properties of 5-methyl-1-[1-oxo-1-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]propan-2-yl]piperidine-3-carboxylic acid?

5-methyl-1-[1-oxo-1-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]propan-2-yl]piperidine-3-carboxylic acid has a molecular weight of 372.51 g/mol, XLogP of 3.17, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 5-methyl-1-[1-oxo-1-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]propan-2-yl]piperidine-3-carboxylic acid is sourced from PubChem (CID 122121475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).