cis-(1R,3S)-3-[3-(5-phenyl-1H-pyrrol-2-yl)propanoylamino]cyclopentane-1-carboxylic acid

C19H22N2O3 — CID 120678122

About cis-(1R,3S)-3-[3-(5-phenyl-1H-pyrrol-2-yl)propanoylamino]cyclopentane-1-carboxylic acid

cis-(1R,3S)-3-[3-(5-phenyl-1H-pyrrol-2-yl)propanoylamino]cyclopentane-1-carboxylic acid (PubChem CID 120678122) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is cis-(1R,3S)-3-[3-(5-phenyl-1H-pyrrol-2-yl)propanoylamino]cyclopentane-1-carboxylic acid.

Molecular Properties

• Compound Name: cis-(1R,3S)-3-[3-(5-phenyl-1H-pyrrol-2-yl)propanoylamino]cyclopentane-1-carboxylic acid
• PubChem CID: 120678122
• Molecular Formula: C19H22N2O3
• Molecular Weight: 326.40 g/mol
• Exact Mass: 326.16
• IUPAC Name: cis-(1R,3S)-3-[3-(5-phenyl-1H-pyrrol-2-yl)propanoylamino]cyclopentane-1-carboxylic acid
• SMILES: O=C(CCc1ccc(-c2ccccc2)[nH]1)N[C@H]1CC[C@@H](C(=O)O)C1
• InChI: InChI=1S/C19H22N2O3/c22-18(21-16-7-6-14(12-16)19(23)24)11-9-15-8-10-17(20-15)13-4-2-1-3-5-13/h1-5,8,10,14,16,20H,6-7,9,11-12H2,(H,21,22)(H,23,24)/t14-,16+/m1/s1
• InChIKey: QDIJMYIOYISWJP-ZBFHGGJFSA-N
• XLogP: 2.98
• TPSA: 82.19 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	326.40
LogP ≤ 5	2.98
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-[3-(5-phenyl-1H-pyrrol-2-yl)propanoylamino]cyclopentane-1-carboxylic acid?

The IUPAC name of cis-(1R,3S)-3-[3-(5-phenyl-1H-pyrrol-2-yl)propanoylamino]cyclopentane-1-carboxylic acid (CID 120678122) is cis-(1R,3S)-3-[3-(5-phenyl-1H-pyrrol-2-yl)propanoylamino]cyclopentane-1-carboxylic acid.

What is the SMILES notation for cis-(1R,3S)-3-[3-(5-phenyl-1H-pyrrol-2-yl)propanoylamino]cyclopentane-1-carboxylic acid?

The canonical SMILES for cis-(1R,3S)-3-[3-(5-phenyl-1H-pyrrol-2-yl)propanoylamino]cyclopentane-1-carboxylic acid is O=C(CCc1ccc(-c2ccccc2)[nH]1)N[C@H]1CC[C@@H](C(=O)O)C1.

What is the InChIKey of cis-(1R,3S)-3-[3-(5-phenyl-1H-pyrrol-2-yl)propanoylamino]cyclopentane-1-carboxylic acid?

The InChIKey is QDIJMYIOYISWJP-ZBFHGGJFSA-N. The full InChI is InChI=1S/C19H22N2O3/c22-18(21-16-7-6-14(12-16)19(23)24)11-9-15-8-10-17(20-15)13-4-2-1-3-5-13/h1-5,8,10,14,16,20H,6-7,9,11-12H2,(H,21,22)(H,23,24)/t14-,16+/m1/s1.

What are the key properties of cis-(1R,3S)-3-[3-(5-phenyl-1H-pyrrol-2-yl)propanoylamino]cyclopentane-1-carboxylic acid?

cis-(1R,3S)-3-[3-(5-phenyl-1H-pyrrol-2-yl)propanoylamino]cyclopentane-1-carboxylic acid has a molecular weight of 326.40 g/mol, XLogP of 2.98, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for cis-(1R,3S)-3-[3-(5-phenyl-1H-pyrrol-2-yl)propanoylamino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 120678122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).