3-[[1-methyl-4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrrole-2-carbonyl]amino]propanoic acid

C19H24N4O3 — CID 155416221

About 3-[[1-methyl-4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrrole-2-carbonyl]amino]propanoic acid

3-[[1-methyl-4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrrole-2-carbonyl]amino]propanoic acid (PubChem CID 155416221) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is 3-[[1-methyl-4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrrole-2-carbonyl]amino]propanoic acid.

Molecular Properties

• Compound Name: 3-[[1-methyl-4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrrole-2-carbonyl]amino]propanoic acid
• PubChem CID: 155416221
• Molecular Formula: C19H24N4O3
• Molecular Weight: 356.43 g/mol
• Exact Mass: 356.18
• IUPAC Name: 3-[[1-methyl-4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrrole-2-carbonyl]amino]propanoic acid
• SMILES: Cn1cc(CCc2ccc3c(n2)NCCC3)cc1C(=O)NCCC(=O)O
• InChI: InChI=1S/C19H24N4O3/c1-23-12-13(11-16(23)19(26)21-10-8-17(24)25)4-6-15-7-5-14-3-2-9-20-18(14)22-15/h5,7,11-12H,2-4,6,8-10H2,1H3,(H,20,22)(H,21,26)(H,24,25)
• InChIKey: SVZVLIDTEXWKQV-UHFFFAOYSA-N
• XLogP: 1.77
• TPSA: 96.25 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	356.43
LogP ≤ 5	1.77
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-[[1-methyl-4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrrole-2-carbonyl]amino]propanoic acid?

The IUPAC name of 3-[[1-methyl-4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrrole-2-carbonyl]amino]propanoic acid (CID 155416221) is 3-[[1-methyl-4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrrole-2-carbonyl]amino]propanoic acid.

What is the SMILES notation for 3-[[1-methyl-4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrrole-2-carbonyl]amino]propanoic acid?

The canonical SMILES for 3-[[1-methyl-4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrrole-2-carbonyl]amino]propanoic acid is Cn1cc(CCc2ccc3c(n2)NCCC3)cc1C(=O)NCCC(=O)O.

What is the InChIKey of 3-[[1-methyl-4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrrole-2-carbonyl]amino]propanoic acid?

The InChIKey is SVZVLIDTEXWKQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3/c1-23-12-13(11-16(23)19(26)21-10-8-17(24)25)4-6-15-7-5-14-3-2-9-20-18(14)22-15/h5,7,11-12H,2-4,6,8-10H2,1H3,(H,20,22)(H,21,26)(H,24,25).

What are the key properties of 3-[[1-methyl-4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrrole-2-carbonyl]amino]propanoic acid?

3-[[1-methyl-4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrrole-2-carbonyl]amino]propanoic acid has a molecular weight of 356.43 g/mol, XLogP of 1.77, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[1-methyl-4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrrole-2-carbonyl]amino]propanoic acid is sourced from PubChem (CID 155416221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).