(3S)-3-(furan-2-yl)-3-[(2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonyl)amino]propanoic acid

C17H18N2O5 — CID 97277113

About (3S)-3-(furan-2-yl)-3-[(2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonyl)amino]propanoic acid

(3S)-3-(furan-2-yl)-3-[(2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonyl)amino]propanoic acid (PubChem CID 97277113) has the molecular formula C17H18N2O5 and a molecular weight of 330.34 g/mol. Its IUPAC name is (3S)-3-(furan-2-yl)-3-[(2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonyl)amino]propanoic acid.

Molecular Properties

• Compound Name: (3S)-3-(furan-2-yl)-3-[(2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonyl)amino]propanoic acid
• PubChem CID: 97277113
• Molecular Formula: C17H18N2O5
• Molecular Weight: 330.34 g/mol
• Exact Mass: 330.12
• IUPAC Name: (3S)-3-(furan-2-yl)-3-[(2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonyl)amino]propanoic acid
• SMILES: COc1nc2c(cc1C(=O)N[C@@H](CC(=O)O)c1ccco1)CCC2
• InChI: InChI=1S/C17H18N2O5/c1-23-17-11(8-10-4-2-5-12(10)19-17)16(22)18-13(9-15(20)21)14-6-3-7-24-14/h3,6-8,13H,2,4-5,9H2,1H3,(H,18,22)(H,20,21)/t13-/m0/s1
• InChIKey: CMOZZJSOKKGSEW-ZDUSSCGKSA-N
• XLogP: 2.12
• TPSA: 101.66 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	330.34
LogP ≤ 5	2.12
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(furan-2-yl)-3-[(2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonyl)amino]propanoic acid?

The IUPAC name of (3S)-3-(furan-2-yl)-3-[(2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonyl)amino]propanoic acid (CID 97277113) is (3S)-3-(furan-2-yl)-3-[(2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonyl)amino]propanoic acid.

What is the SMILES notation for (3S)-3-(furan-2-yl)-3-[(2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonyl)amino]propanoic acid?

The canonical SMILES for (3S)-3-(furan-2-yl)-3-[(2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonyl)amino]propanoic acid is COc1nc2c(cc1C(=O)N[C@@H](CC(=O)O)c1ccco1)CCC2.

What is the InChIKey of (3S)-3-(furan-2-yl)-3-[(2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonyl)amino]propanoic acid?

The InChIKey is CMOZZJSOKKGSEW-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H18N2O5/c1-23-17-11(8-10-4-2-5-12(10)19-17)16(22)18-13(9-15(20)21)14-6-3-7-24-14/h3,6-8,13H,2,4-5,9H2,1H3,(H,18,22)(H,20,21)/t13-/m0/s1.

What are the key properties of (3S)-3-(furan-2-yl)-3-[(2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonyl)amino]propanoic acid?

(3S)-3-(furan-2-yl)-3-[(2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonyl)amino]propanoic acid has a molecular weight of 330.34 g/mol, XLogP of 2.12, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (3S)-3-(furan-2-yl)-3-[(2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonyl)amino]propanoic acid is sourced from PubChem (CID 97277113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).