(3R)-1-[2-[methyl-(3-methyl-1,2-thiazole-4-carbonyl)amino]acetyl]piperidine-3-carboxylic acid

C14H19N3O4S — CID 129468518

About (3R)-1-[2-[methyl-(3-methyl-1,2-thiazole-4-carbonyl)amino]acetyl]piperidine-3-carboxylic acid

(3R)-1-[2-[methyl-(3-methyl-1,2-thiazole-4-carbonyl)amino]acetyl]piperidine-3-carboxylic acid (PubChem CID 129468518) has the molecular formula C14H19N3O4S and a molecular weight of 325.39 g/mol. Its IUPAC name is (3R)-1-[2-[methyl-(3-methyl-1,2-thiazole-4-carbonyl)amino]acetyl]piperidine-3-carboxylic acid.

Molecular Properties

• Compound Name: (3R)-1-[2-[methyl-(3-methyl-1,2-thiazole-4-carbonyl)amino]acetyl]piperidine-3-carboxylic acid
• PubChem CID: 129468518
• Molecular Formula: C14H19N3O4S
• Molecular Weight: 325.39 g/mol
• Exact Mass: 325.11
• IUPAC Name: (3R)-1-[2-[methyl-(3-methyl-1,2-thiazole-4-carbonyl)amino]acetyl]piperidine-3-carboxylic acid
• SMILES: Cc1nscc1C(=O)N(C)CC(=O)N1CCC[C@@H](C(=O)O)C1
• InChI: InChI=1S/C14H19N3O4S/c1-9-11(8-22-15-9)13(19)16(2)7-12(18)17-5-3-4-10(6-17)14(20)21/h8,10H,3-7H2,1-2H3,(H,20,21)/t10-/m1/s1
• InChIKey: JDCKUWYYRNWSKC-SNVBAGLBSA-N
• XLogP: 0.85
• TPSA: 90.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	325.39
LogP ≤ 5	0.85
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[2-[methyl-(3-methyl-1,2-thiazole-4-carbonyl)amino]acetyl]piperidine-3-carboxylic acid?

The IUPAC name of (3R)-1-[2-[methyl-(3-methyl-1,2-thiazole-4-carbonyl)amino]acetyl]piperidine-3-carboxylic acid (CID 129468518) is (3R)-1-[2-[methyl-(3-methyl-1,2-thiazole-4-carbonyl)amino]acetyl]piperidine-3-carboxylic acid.

What is the SMILES notation for (3R)-1-[2-[methyl-(3-methyl-1,2-thiazole-4-carbonyl)amino]acetyl]piperidine-3-carboxylic acid?

The canonical SMILES for (3R)-1-[2-[methyl-(3-methyl-1,2-thiazole-4-carbonyl)amino]acetyl]piperidine-3-carboxylic acid is Cc1nscc1C(=O)N(C)CC(=O)N1CCC[C@@H](C(=O)O)C1.

What is the InChIKey of (3R)-1-[2-[methyl-(3-methyl-1,2-thiazole-4-carbonyl)amino]acetyl]piperidine-3-carboxylic acid?

The InChIKey is JDCKUWYYRNWSKC-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H19N3O4S/c1-9-11(8-22-15-9)13(19)16(2)7-12(18)17-5-3-4-10(6-17)14(20)21/h8,10H,3-7H2,1-2H3,(H,20,21)/t10-/m1/s1.

What are the key properties of (3R)-1-[2-[methyl-(3-methyl-1,2-thiazole-4-carbonyl)amino]acetyl]piperidine-3-carboxylic acid?

(3R)-1-[2-[methyl-(3-methyl-1,2-thiazole-4-carbonyl)amino]acetyl]piperidine-3-carboxylic acid has a molecular weight of 325.39 g/mol, XLogP of 0.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-1-[2-[methyl-(3-methyl-1,2-thiazole-4-carbonyl)amino]acetyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 129468518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).