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

C17H25N5O3 — CID 134500999

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

2-amino-3-[[1-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]azetidine-3-carbonyl]amino]propanoic acid (PubChem CID 134500999) has the molecular formula C17H25N5O3 and a molecular weight of 347.42 g/mol. Its IUPAC name is 2-amino-3-[[1-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]azetidine-3-carbonyl]amino]propanoic acid.

Molecular Properties

• Compound Name: 2-amino-3-[[1-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]azetidine-3-carbonyl]amino]propanoic acid
• PubChem CID: 134500999
• Molecular Formula: C17H25N5O3
• Molecular Weight: 347.42 g/mol
• Exact Mass: 347.20
• IUPAC Name: 2-amino-3-[[1-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]azetidine-3-carbonyl]amino]propanoic acid
• SMILES: NC(CNC(=O)C1CN(CCc2ccc3c(n2)NCCC3)C1)C(=O)O
• InChI: InChI=1S/C17H25N5O3/c18-14(17(24)25)8-20-16(23)12-9-22(10-12)7-5-13-4-3-11-2-1-6-19-15(11)21-13/h3-4,12,14H,1-2,5-10,18H2,(H,19,21)(H,20,23)(H,24,25)
• InChIKey: FZMYHRJAVLMVGS-UHFFFAOYSA-N
• XLogP: -0.56
• TPSA: 120.58 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	347.42
LogP ≤ 5	-0.56
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 2-amino-3-[[1-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]azetidine-3-carbonyl]amino]propanoic acid (CID 134500999) is 2-amino-3-[[1-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]azetidine-3-carbonyl]amino]propanoic acid.

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

The canonical SMILES for 2-amino-3-[[1-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]azetidine-3-carbonyl]amino]propanoic acid is NC(CNC(=O)C1CN(CCc2ccc3c(n2)NCCC3)C1)C(=O)O.

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

The InChIKey is FZMYHRJAVLMVGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O3/c18-14(17(24)25)8-20-16(23)12-9-22(10-12)7-5-13-4-3-11-2-1-6-19-15(11)21-13/h3-4,12,14H,1-2,5-10,18H2,(H,19,21)(H,20,23)(H,24,25).

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

2-amino-3-[[1-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]azetidine-3-carbonyl]amino]propanoic acid has a molecular weight of 347.42 g/mol, XLogP of -0.56, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-3-[[1-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]azetidine-3-carbonyl]amino]propanoic acid is sourced from PubChem (CID 134500999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).