trans-(1S,3S)-3-[(4-furo[3,2-c]pyridin-4-ylbenzoyl)amino]cyclopentane-1-carboxylic acid

C20H18N2O4 — CID 170170991

About trans-(1S,3S)-3-[(4-furo[3,2-c]pyridin-4-ylbenzoyl)amino]cyclopentane-1-carboxylic acid

trans-(1S,3S)-3-[(4-furo[3,2-c]pyridin-4-ylbenzoyl)amino]cyclopentane-1-carboxylic acid (PubChem CID 170170991) has the molecular formula C20H18N2O4 and a molecular weight of 350.37 g/mol. Its IUPAC name is trans-(1S,3S)-3-[(4-furo[3,2-c]pyridin-4-ylbenzoyl)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

• Compound Name: trans-(1S,3S)-3-[(4-furo[3,2-c]pyridin-4-ylbenzoyl)amino]cyclopentane-1-carboxylic acid
• PubChem CID: 170170991
• Molecular Formula: C20H18N2O4
• Molecular Weight: 350.37 g/mol
• Exact Mass: 350.13
• IUPAC Name: trans-(1S,3S)-3-[(4-furo[3,2-c]pyridin-4-ylbenzoyl)amino]cyclopentane-1-carboxylic acid
• SMILES: O=C(N[C@H]1CC[C@H](C(=O)O)C1)c1ccc(-c2nccc3occc23)cc1
• InChI: InChI=1S/C20H18N2O4/c23-19(22-15-6-5-14(11-15)20(24)25)13-3-1-12(2-4-13)18-16-8-10-26-17(16)7-9-21-18/h1-4,7-10,14-15H,5-6,11H2,(H,22,23)(H,24,25)/t14-,15-/m0/s1
• InChIKey: VHEDQFVICMQZIK-GJZGRUSLSA-N
• XLogP: 3.48
• TPSA: 92.43 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	350.37
LogP ≤ 5	3.48
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of trans-(1S,3S)-3-[(4-furo[3,2-c]pyridin-4-ylbenzoyl)amino]cyclopentane-1-carboxylic acid?

The IUPAC name of trans-(1S,3S)-3-[(4-furo[3,2-c]pyridin-4-ylbenzoyl)amino]cyclopentane-1-carboxylic acid (CID 170170991) is trans-(1S,3S)-3-[(4-furo[3,2-c]pyridin-4-ylbenzoyl)amino]cyclopentane-1-carboxylic acid.

What is the SMILES notation for trans-(1S,3S)-3-[(4-furo[3,2-c]pyridin-4-ylbenzoyl)amino]cyclopentane-1-carboxylic acid?

The canonical SMILES for trans-(1S,3S)-3-[(4-furo[3,2-c]pyridin-4-ylbenzoyl)amino]cyclopentane-1-carboxylic acid is O=C(N[C@H]1CC[C@H](C(=O)O)C1)c1ccc(-c2nccc3occc23)cc1.

What is the InChIKey of trans-(1S,3S)-3-[(4-furo[3,2-c]pyridin-4-ylbenzoyl)amino]cyclopentane-1-carboxylic acid?

The InChIKey is VHEDQFVICMQZIK-GJZGRUSLSA-N. The full InChI is InChI=1S/C20H18N2O4/c23-19(22-15-6-5-14(11-15)20(24)25)13-3-1-12(2-4-13)18-16-8-10-26-17(16)7-9-21-18/h1-4,7-10,14-15H,5-6,11H2,(H,22,23)(H,24,25)/t14-,15-/m0/s1.

What are the key properties of trans-(1S,3S)-3-[(4-furo[3,2-c]pyridin-4-ylbenzoyl)amino]cyclopentane-1-carboxylic acid?

trans-(1S,3S)-3-[(4-furo[3,2-c]pyridin-4-ylbenzoyl)amino]cyclopentane-1-carboxylic acid has a molecular weight of 350.37 g/mol, XLogP of 3.48, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for trans-(1S,3S)-3-[(4-furo[3,2-c]pyridin-4-ylbenzoyl)amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 170170991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).