3-[(2R)-1-[2-(4-methoxyphenyl)-1,3-thiazole-5-carbonyl]piperidin-2-yl]propanoic acid

C19H22N2O4S — CID 124691573

About 3-[(2R)-1-[2-(4-methoxyphenyl)-1,3-thiazole-5-carbonyl]piperidin-2-yl]propanoic acid

3-[(2R)-1-[2-(4-methoxyphenyl)-1,3-thiazole-5-carbonyl]piperidin-2-yl]propanoic acid (PubChem CID 124691573) has the molecular formula C19H22N2O4S and a molecular weight of 374.46 g/mol. Its IUPAC name is 3-[(2R)-1-[2-(4-methoxyphenyl)-1,3-thiazole-5-carbonyl]piperidin-2-yl]propanoic acid.

Molecular Properties

• Compound Name: 3-[(2R)-1-[2-(4-methoxyphenyl)-1,3-thiazole-5-carbonyl]piperidin-2-yl]propanoic acid
• PubChem CID: 124691573
• Molecular Formula: C19H22N2O4S
• Molecular Weight: 374.46 g/mol
• Exact Mass: 374.13
• IUPAC Name: 3-[(2R)-1-[2-(4-methoxyphenyl)-1,3-thiazole-5-carbonyl]piperidin-2-yl]propanoic acid
• SMILES: COc1ccc(-c2ncc(C(=O)N3CCCC[C@@H]3CCC(=O)O)s2)cc1
• InChI: InChI=1S/C19H22N2O4S/c1-25-15-8-5-13(6-9-15)18-20-12-16(26-18)19(24)21-11-3-2-4-14(21)7-10-17(22)23/h5-6,8-9,12,14H,2-4,7,10-11H2,1H3,(H,22,23)/t14-/m1/s1
• InChIKey: RTBRSNFJLHHLBQ-CQSZACIVSA-N
• XLogP: 3.68
• TPSA: 79.73 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	374.46
LogP ≤ 5	3.68
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-1-[2-(4-methoxyphenyl)-1,3-thiazole-5-carbonyl]piperidin-2-yl]propanoic acid?

The IUPAC name of 3-[(2R)-1-[2-(4-methoxyphenyl)-1,3-thiazole-5-carbonyl]piperidin-2-yl]propanoic acid (CID 124691573) is 3-[(2R)-1-[2-(4-methoxyphenyl)-1,3-thiazole-5-carbonyl]piperidin-2-yl]propanoic acid.

What is the SMILES notation for 3-[(2R)-1-[2-(4-methoxyphenyl)-1,3-thiazole-5-carbonyl]piperidin-2-yl]propanoic acid?

The canonical SMILES for 3-[(2R)-1-[2-(4-methoxyphenyl)-1,3-thiazole-5-carbonyl]piperidin-2-yl]propanoic acid is COc1ccc(-c2ncc(C(=O)N3CCCC[C@@H]3CCC(=O)O)s2)cc1.

What is the InChIKey of 3-[(2R)-1-[2-(4-methoxyphenyl)-1,3-thiazole-5-carbonyl]piperidin-2-yl]propanoic acid?

The InChIKey is RTBRSNFJLHHLBQ-CQSZACIVSA-N. The full InChI is InChI=1S/C19H22N2O4S/c1-25-15-8-5-13(6-9-15)18-20-12-16(26-18)19(24)21-11-3-2-4-14(21)7-10-17(22)23/h5-6,8-9,12,14H,2-4,7,10-11H2,1H3,(H,22,23)/t14-/m1/s1.

What are the key properties of 3-[(2R)-1-[2-(4-methoxyphenyl)-1,3-thiazole-5-carbonyl]piperidin-2-yl]propanoic acid?

3-[(2R)-1-[2-(4-methoxyphenyl)-1,3-thiazole-5-carbonyl]piperidin-2-yl]propanoic acid has a molecular weight of 374.46 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(2R)-1-[2-(4-methoxyphenyl)-1,3-thiazole-5-carbonyl]piperidin-2-yl]propanoic acid is sourced from PubChem (CID 124691573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).