cis-(1R,3S)-3-[(1-cyclopentyl-2-oxo-3H-benzimidazole-5-carbonyl)amino]cyclopentane-1-carboxylic acid

C19H23N3O4 — CID 120678804

About cis-(1R,3S)-3-[(1-cyclopentyl-2-oxo-3H-benzimidazole-5-carbonyl)amino]cyclopentane-1-carboxylic acid

cis-(1R,3S)-3-[(1-cyclopentyl-2-oxo-3H-benzimidazole-5-carbonyl)amino]cyclopentane-1-carboxylic acid (PubChem CID 120678804) has the molecular formula C19H23N3O4 and a molecular weight of 357.41 g/mol. Its IUPAC name is cis-(1R,3S)-3-[(1-cyclopentyl-2-oxo-3H-benzimidazole-5-carbonyl)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

• Compound Name: cis-(1R,3S)-3-[(1-cyclopentyl-2-oxo-3H-benzimidazole-5-carbonyl)amino]cyclopentane-1-carboxylic acid
• PubChem CID: 120678804
• Molecular Formula: C19H23N3O4
• Molecular Weight: 357.41 g/mol
• Exact Mass: 357.17
• IUPAC Name: cis-(1R,3S)-3-[(1-cyclopentyl-2-oxo-3H-benzimidazole-5-carbonyl)amino]cyclopentane-1-carboxylic acid
• SMILES: O=C(N[C@H]1CC[C@@H](C(=O)O)C1)c1ccc2c(c1)[nH]c(=O)n2C1CCCC1
• InChI: InChI=1S/C19H23N3O4/c23-17(20-13-7-5-12(9-13)18(24)25)11-6-8-16-15(10-11)21-19(26)22(16)14-3-1-2-4-14/h6,8,10,12-14H,1-5,7,9H2,(H,20,23)(H,21,26)(H,24,25)/t12-,13+/m1/s1
• InChIKey: NYHZFSWODBVZJQ-OLZOCXBDSA-N
• XLogP: 2.43
• TPSA: 104.19 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	357.41
LogP ≤ 5	2.43
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-[(1-cyclopentyl-2-oxo-3H-benzimidazole-5-carbonyl)amino]cyclopentane-1-carboxylic acid?

The IUPAC name of cis-(1R,3S)-3-[(1-cyclopentyl-2-oxo-3H-benzimidazole-5-carbonyl)amino]cyclopentane-1-carboxylic acid (CID 120678804) is cis-(1R,3S)-3-[(1-cyclopentyl-2-oxo-3H-benzimidazole-5-carbonyl)amino]cyclopentane-1-carboxylic acid.

What is the SMILES notation for cis-(1R,3S)-3-[(1-cyclopentyl-2-oxo-3H-benzimidazole-5-carbonyl)amino]cyclopentane-1-carboxylic acid?

The canonical SMILES for cis-(1R,3S)-3-[(1-cyclopentyl-2-oxo-3H-benzimidazole-5-carbonyl)amino]cyclopentane-1-carboxylic acid is O=C(N[C@H]1CC[C@@H](C(=O)O)C1)c1ccc2c(c1)[nH]c(=O)n2C1CCCC1.

What is the InChIKey of cis-(1R,3S)-3-[(1-cyclopentyl-2-oxo-3H-benzimidazole-5-carbonyl)amino]cyclopentane-1-carboxylic acid?

The InChIKey is NYHZFSWODBVZJQ-OLZOCXBDSA-N. The full InChI is InChI=1S/C19H23N3O4/c23-17(20-13-7-5-12(9-13)18(24)25)11-6-8-16-15(10-11)21-19(26)22(16)14-3-1-2-4-14/h6,8,10,12-14H,1-5,7,9H2,(H,20,23)(H,21,26)(H,24,25)/t12-,13+/m1/s1.

What are the key properties of cis-(1R,3S)-3-[(1-cyclopentyl-2-oxo-3H-benzimidazole-5-carbonyl)amino]cyclopentane-1-carboxylic acid?

cis-(1R,3S)-3-[(1-cyclopentyl-2-oxo-3H-benzimidazole-5-carbonyl)amino]cyclopentane-1-carboxylic acid has a molecular weight of 357.41 g/mol, XLogP of 2.43, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for cis-(1R,3S)-3-[(1-cyclopentyl-2-oxo-3H-benzimidazole-5-carbonyl)amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 120678804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).