1-[2-[(2-tert-butyl-4-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-methylamino]acetyl]piperidine-3-carboxylic acid

C19H28N4O5 — CID 137031893

About 1-[2-[(2-tert-butyl-4-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-methylamino]acetyl]piperidine-3-carboxylic acid

1-[2-[(2-tert-butyl-4-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-methylamino]acetyl]piperidine-3-carboxylic acid (PubChem CID 137031893) has the molecular formula C19H28N4O5 and a molecular weight of 392.46 g/mol. Its IUPAC name is 1-[2-[(2-tert-butyl-4-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-methylamino]acetyl]piperidine-3-carboxylic acid.

Molecular Properties

• Compound Name: 1-[2-[(2-tert-butyl-4-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-methylamino]acetyl]piperidine-3-carboxylic acid
• PubChem CID: 137031893
• Molecular Formula: C19H28N4O5
• Molecular Weight: 392.46 g/mol
• Exact Mass: 392.21
• IUPAC Name: 1-[2-[(2-tert-butyl-4-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-methylamino]acetyl]piperidine-3-carboxylic acid
• SMILES: Cc1nc(C(C)(C)C)[nH]c(=O)c1C(=O)N(C)CC(=O)N1CCCC(C(=O)O)C1
• InChI: InChI=1S/C19H28N4O5/c1-11-14(15(25)21-18(20-11)19(2,3)4)16(26)22(5)10-13(24)23-8-6-7-12(9-23)17(27)28/h12H,6-10H2,1-5H3,(H,27,28)(H,20,21,25)
• InChIKey: FSGAIMOSWWHNHM-UHFFFAOYSA-N
• XLogP: 0.77
• TPSA: 123.67 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	392.46
LogP ≤ 5	0.77
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2-tert-butyl-4-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-methylamino]acetyl]piperidine-3-carboxylic acid?

The IUPAC name of 1-[2-[(2-tert-butyl-4-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-methylamino]acetyl]piperidine-3-carboxylic acid (CID 137031893) is 1-[2-[(2-tert-butyl-4-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-methylamino]acetyl]piperidine-3-carboxylic acid.

What is the SMILES notation for 1-[2-[(2-tert-butyl-4-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-methylamino]acetyl]piperidine-3-carboxylic acid?

The canonical SMILES for 1-[2-[(2-tert-butyl-4-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-methylamino]acetyl]piperidine-3-carboxylic acid is Cc1nc(C(C)(C)C)[nH]c(=O)c1C(=O)N(C)CC(=O)N1CCCC(C(=O)O)C1.

What is the InChIKey of 1-[2-[(2-tert-butyl-4-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-methylamino]acetyl]piperidine-3-carboxylic acid?

The InChIKey is FSGAIMOSWWHNHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O5/c1-11-14(15(25)21-18(20-11)19(2,3)4)16(26)22(5)10-13(24)23-8-6-7-12(9-23)17(27)28/h12H,6-10H2,1-5H3,(H,27,28)(H,20,21,25).

What are the key properties of 1-[2-[(2-tert-butyl-4-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-methylamino]acetyl]piperidine-3-carboxylic acid?

1-[2-[(2-tert-butyl-4-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-methylamino]acetyl]piperidine-3-carboxylic acid has a molecular weight of 392.46 g/mol, XLogP of 0.77, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[(2-tert-butyl-4-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-methylamino]acetyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 137031893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).