cis-(1R,3S)-3-[(2-methyl-6-thiophen-3-ylpyridine-3-carbonyl)amino]cyclopentane-1-carboxylic acid

C17H18N2O3S — CID 120678974

About cis-(1R,3S)-3-[(2-methyl-6-thiophen-3-ylpyridine-3-carbonyl)amino]cyclopentane-1-carboxylic acid

cis-(1R,3S)-3-[(2-methyl-6-thiophen-3-ylpyridine-3-carbonyl)amino]cyclopentane-1-carboxylic acid (PubChem CID 120678974) has the molecular formula C17H18N2O3S and a molecular weight of 330.41 g/mol. Its IUPAC name is cis-(1R,3S)-3-[(2-methyl-6-thiophen-3-ylpyridine-3-carbonyl)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

• Compound Name: cis-(1R,3S)-3-[(2-methyl-6-thiophen-3-ylpyridine-3-carbonyl)amino]cyclopentane-1-carboxylic acid
• PubChem CID: 120678974
• Molecular Formula: C17H18N2O3S
• Molecular Weight: 330.41 g/mol
• Exact Mass: 330.10
• IUPAC Name: cis-(1R,3S)-3-[(2-methyl-6-thiophen-3-ylpyridine-3-carbonyl)amino]cyclopentane-1-carboxylic acid
• SMILES: Cc1nc(-c2ccsc2)ccc1C(=O)N[C@H]1CC[C@@H](C(=O)O)C1
• InChI: InChI=1S/C17H18N2O3S/c1-10-14(4-5-15(18-10)12-6-7-23-9-12)16(20)19-13-3-2-11(8-13)17(21)22/h4-7,9,11,13H,2-3,8H2,1H3,(H,19,20)(H,21,22)/t11-,13+/m1/s1
• InChIKey: GNYCHCCJSDOEQO-YPMHNXCESA-N
• XLogP: 3.10
• TPSA: 79.29 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	330.41
LogP ≤ 5	3.10
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-[(2-methyl-6-thiophen-3-ylpyridine-3-carbonyl)amino]cyclopentane-1-carboxylic acid?

The IUPAC name of cis-(1R,3S)-3-[(2-methyl-6-thiophen-3-ylpyridine-3-carbonyl)amino]cyclopentane-1-carboxylic acid (CID 120678974) is cis-(1R,3S)-3-[(2-methyl-6-thiophen-3-ylpyridine-3-carbonyl)amino]cyclopentane-1-carboxylic acid.

What is the SMILES notation for cis-(1R,3S)-3-[(2-methyl-6-thiophen-3-ylpyridine-3-carbonyl)amino]cyclopentane-1-carboxylic acid?

The canonical SMILES for cis-(1R,3S)-3-[(2-methyl-6-thiophen-3-ylpyridine-3-carbonyl)amino]cyclopentane-1-carboxylic acid is Cc1nc(-c2ccsc2)ccc1C(=O)N[C@H]1CC[C@@H](C(=O)O)C1.

What is the InChIKey of cis-(1R,3S)-3-[(2-methyl-6-thiophen-3-ylpyridine-3-carbonyl)amino]cyclopentane-1-carboxylic acid?

The InChIKey is GNYCHCCJSDOEQO-YPMHNXCESA-N. The full InChI is InChI=1S/C17H18N2O3S/c1-10-14(4-5-15(18-10)12-6-7-23-9-12)16(20)19-13-3-2-11(8-13)17(21)22/h4-7,9,11,13H,2-3,8H2,1H3,(H,19,20)(H,21,22)/t11-,13+/m1/s1.

What are the key properties of cis-(1R,3S)-3-[(2-methyl-6-thiophen-3-ylpyridine-3-carbonyl)amino]cyclopentane-1-carboxylic acid?

cis-(1R,3S)-3-[(2-methyl-6-thiophen-3-ylpyridine-3-carbonyl)amino]cyclopentane-1-carboxylic acid has a molecular weight of 330.41 g/mol, XLogP of 3.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for cis-(1R,3S)-3-[(2-methyl-6-thiophen-3-ylpyridine-3-carbonyl)amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 120678974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).