ethyl (3R)-1-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperidin-1-ium-3-carboxylate

C14H22N3O4+ — CID 8531837

About ethyl (3R)-1-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperidin-1-ium-3-carboxylate

ethyl (3R)-1-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperidin-1-ium-3-carboxylate (PubChem CID 8531837) has the molecular formula C14H22N3O4+ and a molecular weight of 296.35 g/mol. Its IUPAC name is ethyl (3R)-1-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperidin-1-ium-3-carboxylate.

Molecular Properties

• Compound Name: ethyl (3R)-1-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperidin-1-ium-3-carboxylate
• PubChem CID: 8531837
• Molecular Formula: C14H22N3O4+
• Molecular Weight: 296.35 g/mol
• Exact Mass: 296.16
• IUPAC Name: ethyl (3R)-1-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperidin-1-ium-3-carboxylate
• SMILES: CCOC(=O)[C@@H]1CCC[NH+](CC(=O)Nc2cc(C)on2)C1
• InChI: InChI=1S/C14H21N3O4/c1-3-20-14(19)11-5-4-6-17(8-11)9-13(18)15-12-7-10(2)21-16-12/h7,11H,3-6,8-9H2,1-2H3,(H,15,16,18)/p+1/t11-/m1/s1
• InChIKey: FBMKGKGYXWAOON-LLVKDONJSA-O
• XLogP: -0.22
• TPSA: 85.87 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	296.35
LogP ≤ 5	-0.22
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of ethyl (3R)-1-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperidin-1-ium-3-carboxylate?

The IUPAC name of ethyl (3R)-1-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperidin-1-ium-3-carboxylate (CID 8531837) is ethyl (3R)-1-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperidin-1-ium-3-carboxylate.

What is the SMILES notation for ethyl (3R)-1-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperidin-1-ium-3-carboxylate?

The canonical SMILES for ethyl (3R)-1-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperidin-1-ium-3-carboxylate is CCOC(=O)[C@@H]1CCC[NH+](CC(=O)Nc2cc(C)on2)C1.

What is the InChIKey of ethyl (3R)-1-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperidin-1-ium-3-carboxylate?

The InChIKey is FBMKGKGYXWAOON-LLVKDONJSA-O. The full InChI is InChI=1S/C14H21N3O4/c1-3-20-14(19)11-5-4-6-17(8-11)9-13(18)15-12-7-10(2)21-16-12/h7,11H,3-6,8-9H2,1-2H3,(H,15,16,18)/p+1/t11-/m1/s1.

What are the key properties of ethyl (3R)-1-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperidin-1-ium-3-carboxylate?

ethyl (3R)-1-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperidin-1-ium-3-carboxylate has a molecular weight of 296.35 g/mol, XLogP of -0.22, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl (3R)-1-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperidin-1-ium-3-carboxylate is sourced from PubChem (CID 8531837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).