(3R)-3-(3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl)-3-[2-oxo-3-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]imidazolidin-1-yl]propanoic acid

C24H30N6O4 — CID 54139965

About (3R)-3-(3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl)-3-[2-oxo-3-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]imidazolidin-1-yl]propanoic acid

(3R)-3-(3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl)-3-[2-oxo-3-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]imidazolidin-1-yl]propanoic acid (PubChem CID 54139965) has the molecular formula C24H30N6O4 and a molecular weight of 466.54 g/mol. Its IUPAC name is (3R)-3-(3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl)-3-[2-oxo-3-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]imidazolidin-1-yl]propanoic acid.

Molecular Properties

• Compound Name: (3R)-3-(3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl)-3-[2-oxo-3-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]imidazolidin-1-yl]propanoic acid
• PubChem CID: 54139965
• Molecular Formula: C24H30N6O4
• Molecular Weight: 466.54 g/mol
• Exact Mass: 466.23
• IUPAC Name: (3R)-3-(3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl)-3-[2-oxo-3-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]imidazolidin-1-yl]propanoic acid
• SMILES: O=C(O)C[C@H](c1cnc2c(c1)OCCN2)N1CCN(CCCc2ccc3c(n2)NCCC3)C1=O
• InChI: InChI=1S/C24H30N6O4/c31-21(32)14-19(17-13-20-23(27-15-17)26-8-12-34-20)30-11-10-29(24(30)33)9-2-4-18-6-5-16-3-1-7-25-22(16)28-18/h5-6,13,15,19H,1-4,7-12,14H2,(H,25,28)(H,26,27)(H,31,32)/t19-/m1/s1
• InChIKey: OAKDYLVDYQMOOL-LJQANCHMSA-N
• XLogP: 2.53
• TPSA: 119.92 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	466.54
LogP ≤ 5	2.53
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl)-3-[2-oxo-3-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]imidazolidin-1-yl]propanoic acid?

The IUPAC name of (3R)-3-(3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl)-3-[2-oxo-3-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]imidazolidin-1-yl]propanoic acid (CID 54139965) is (3R)-3-(3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl)-3-[2-oxo-3-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]imidazolidin-1-yl]propanoic acid.

What is the SMILES notation for (3R)-3-(3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl)-3-[2-oxo-3-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]imidazolidin-1-yl]propanoic acid?

The canonical SMILES for (3R)-3-(3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl)-3-[2-oxo-3-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]imidazolidin-1-yl]propanoic acid is O=C(O)C[C@H](c1cnc2c(c1)OCCN2)N1CCN(CCCc2ccc3c(n2)NCCC3)C1=O.

What is the InChIKey of (3R)-3-(3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl)-3-[2-oxo-3-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]imidazolidin-1-yl]propanoic acid?

The InChIKey is OAKDYLVDYQMOOL-LJQANCHMSA-N. The full InChI is InChI=1S/C24H30N6O4/c31-21(32)14-19(17-13-20-23(27-15-17)26-8-12-34-20)30-11-10-29(24(30)33)9-2-4-18-6-5-16-3-1-7-25-22(16)28-18/h5-6,13,15,19H,1-4,7-12,14H2,(H,25,28)(H,26,27)(H,31,32)/t19-/m1/s1.

What are the key properties of (3R)-3-(3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl)-3-[2-oxo-3-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]imidazolidin-1-yl]propanoic acid?

(3R)-3-(3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl)-3-[2-oxo-3-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]imidazolidin-1-yl]propanoic acid has a molecular weight of 466.54 g/mol, XLogP of 2.53, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-3-(3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl)-3-[2-oxo-3-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]imidazolidin-1-yl]propanoic acid is sourced from PubChem (CID 54139965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).