2-[[(2R)-2-[N-(furan-2-carbonyl)-4-phenylanilino]-2-pyridin-3-ylacetyl]amino]-2-phenylacetic acid

C32H25N3O5 — CID 171502910

About 2-[[(2R)-2-[N-(furan-2-carbonyl)-4-phenylanilino]-2-pyridin-3-ylacetyl]amino]-2-phenylacetic acid

2-[[(2R)-2-[N-(furan-2-carbonyl)-4-phenylanilino]-2-pyridin-3-ylacetyl]amino]-2-phenylacetic acid (PubChem CID 171502910) has the molecular formula C32H25N3O5 and a molecular weight of 531.57 g/mol. Its IUPAC name is 2-[[(2R)-2-[N-(furan-2-carbonyl)-4-phenylanilino]-2-pyridin-3-ylacetyl]amino]-2-phenylacetic acid.

Molecular Properties

• Compound Name: 2-[[(2R)-2-[N-(furan-2-carbonyl)-4-phenylanilino]-2-pyridin-3-ylacetyl]amino]-2-phenylacetic acid
• PubChem CID: 171502910
• Molecular Formula: C32H25N3O5
• Molecular Weight: 531.57 g/mol
• Exact Mass: 531.18
• IUPAC Name: 2-[[(2R)-2-[N-(furan-2-carbonyl)-4-phenylanilino]-2-pyridin-3-ylacetyl]amino]-2-phenylacetic acid
• SMILES: O=C(O)C(NC(=O)[C@@H](c1cccnc1)N(C(=O)c1ccco1)c1ccc(-c2ccccc2)cc1)c1ccccc1
• InChI: InChI=1S/C32H25N3O5/c36-30(34-28(32(38)39)24-11-5-2-6-12-24)29(25-13-7-19-33-21-25)35(31(37)27-14-8-20-40-27)26-17-15-23(16-18-26)22-9-3-1-4-10-22/h1-21,28-29H,(H,34,36)(H,38,39)/t28?,29-/m1/s1
• InChIKey: IQGZSZLFIPSDFJ-YPJJGMIRSA-N
• XLogP: 5.67
• TPSA: 112.74 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	531.57
LogP ≤ 5	5.67
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[[(2R)-2-[N-(furan-2-carbonyl)-4-phenylanilino]-2-pyridin-3-ylacetyl]amino]-2-phenylacetic acid?

The IUPAC name of 2-[[(2R)-2-[N-(furan-2-carbonyl)-4-phenylanilino]-2-pyridin-3-ylacetyl]amino]-2-phenylacetic acid (CID 171502910) is 2-[[(2R)-2-[N-(furan-2-carbonyl)-4-phenylanilino]-2-pyridin-3-ylacetyl]amino]-2-phenylacetic acid.

What is the SMILES notation for 2-[[(2R)-2-[N-(furan-2-carbonyl)-4-phenylanilino]-2-pyridin-3-ylacetyl]amino]-2-phenylacetic acid?

The canonical SMILES for 2-[[(2R)-2-[N-(furan-2-carbonyl)-4-phenylanilino]-2-pyridin-3-ylacetyl]amino]-2-phenylacetic acid is O=C(O)C(NC(=O)[C@@H](c1cccnc1)N(C(=O)c1ccco1)c1ccc(-c2ccccc2)cc1)c1ccccc1.

What is the InChIKey of 2-[[(2R)-2-[N-(furan-2-carbonyl)-4-phenylanilino]-2-pyridin-3-ylacetyl]amino]-2-phenylacetic acid?

The InChIKey is IQGZSZLFIPSDFJ-YPJJGMIRSA-N. The full InChI is InChI=1S/C32H25N3O5/c36-30(34-28(32(38)39)24-11-5-2-6-12-24)29(25-13-7-19-33-21-25)35(31(37)27-14-8-20-40-27)26-17-15-23(16-18-26)22-9-3-1-4-10-22/h1-21,28-29H,(H,34,36)(H,38,39)/t28?,29-/m1/s1.

What are the key properties of 2-[[(2R)-2-[N-(furan-2-carbonyl)-4-phenylanilino]-2-pyridin-3-ylacetyl]amino]-2-phenylacetic acid?

2-[[(2R)-2-[N-(furan-2-carbonyl)-4-phenylanilino]-2-pyridin-3-ylacetyl]amino]-2-phenylacetic acid has a molecular weight of 531.57 g/mol, XLogP of 5.67, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[(2R)-2-[N-(furan-2-carbonyl)-4-phenylanilino]-2-pyridin-3-ylacetyl]amino]-2-phenylacetic acid is sourced from PubChem (CID 171502910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).