(3R)-1-[2-[methyl-(5-propan-2-yl-1,2-oxazole-3-carbonyl)amino]acetyl]piperidine-3-carboxylic acid

C16H23N3O5 — CID 129470384

About (3R)-1-[2-[methyl-(5-propan-2-yl-1,2-oxazole-3-carbonyl)amino]acetyl]piperidine-3-carboxylic acid

(3R)-1-[2-[methyl-(5-propan-2-yl-1,2-oxazole-3-carbonyl)amino]acetyl]piperidine-3-carboxylic acid (PubChem CID 129470384) has the molecular formula C16H23N3O5 and a molecular weight of 337.38 g/mol. Its IUPAC name is (3R)-1-[2-[methyl-(5-propan-2-yl-1,2-oxazole-3-carbonyl)amino]acetyl]piperidine-3-carboxylic acid.

Molecular Properties

• Compound Name: (3R)-1-[2-[methyl-(5-propan-2-yl-1,2-oxazole-3-carbonyl)amino]acetyl]piperidine-3-carboxylic acid
• PubChem CID: 129470384
• Molecular Formula: C16H23N3O5
• Molecular Weight: 337.38 g/mol
• Exact Mass: 337.16
• IUPAC Name: (3R)-1-[2-[methyl-(5-propan-2-yl-1,2-oxazole-3-carbonyl)amino]acetyl]piperidine-3-carboxylic acid
• SMILES: CC(C)c1cc(C(=O)N(C)CC(=O)N2CCC[C@@H](C(=O)O)C2)no1
• InChI: InChI=1S/C16H23N3O5/c1-10(2)13-7-12(17-24-13)15(21)18(3)9-14(20)19-6-4-5-11(8-19)16(22)23/h7,10-11H,4-6,8-9H2,1-3H3,(H,22,23)/t11-/m1/s1
• InChIKey: BYVVANKJYADFIO-LLVKDONJSA-N
• XLogP: 1.19
• TPSA: 103.95 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	337.38
LogP ≤ 5	1.19
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[2-[methyl-(5-propan-2-yl-1,2-oxazole-3-carbonyl)amino]acetyl]piperidine-3-carboxylic acid?

The IUPAC name of (3R)-1-[2-[methyl-(5-propan-2-yl-1,2-oxazole-3-carbonyl)amino]acetyl]piperidine-3-carboxylic acid (CID 129470384) is (3R)-1-[2-[methyl-(5-propan-2-yl-1,2-oxazole-3-carbonyl)amino]acetyl]piperidine-3-carboxylic acid.

What is the SMILES notation for (3R)-1-[2-[methyl-(5-propan-2-yl-1,2-oxazole-3-carbonyl)amino]acetyl]piperidine-3-carboxylic acid?

The canonical SMILES for (3R)-1-[2-[methyl-(5-propan-2-yl-1,2-oxazole-3-carbonyl)amino]acetyl]piperidine-3-carboxylic acid is CC(C)c1cc(C(=O)N(C)CC(=O)N2CCC[C@@H](C(=O)O)C2)no1.

What is the InChIKey of (3R)-1-[2-[methyl-(5-propan-2-yl-1,2-oxazole-3-carbonyl)amino]acetyl]piperidine-3-carboxylic acid?

The InChIKey is BYVVANKJYADFIO-LLVKDONJSA-N. The full InChI is InChI=1S/C16H23N3O5/c1-10(2)13-7-12(17-24-13)15(21)18(3)9-14(20)19-6-4-5-11(8-19)16(22)23/h7,10-11H,4-6,8-9H2,1-3H3,(H,22,23)/t11-/m1/s1.

What are the key properties of (3R)-1-[2-[methyl-(5-propan-2-yl-1,2-oxazole-3-carbonyl)amino]acetyl]piperidine-3-carboxylic acid?

(3R)-1-[2-[methyl-(5-propan-2-yl-1,2-oxazole-3-carbonyl)amino]acetyl]piperidine-3-carboxylic acid has a molecular weight of 337.38 g/mol, XLogP of 1.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-1-[2-[methyl-(5-propan-2-yl-1,2-oxazole-3-carbonyl)amino]acetyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 129470384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).