(3R)-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrrolidine-1-carboxylic acid

C15H21N3O2 — CID 135156560

About (3R)-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrrolidine-1-carboxylic acid

(3R)-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrrolidine-1-carboxylic acid (PubChem CID 135156560) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is (3R)-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrrolidine-1-carboxylic acid.

Molecular Properties

• Compound Name: (3R)-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrrolidine-1-carboxylic acid
• PubChem CID: 135156560
• Molecular Formula: C15H21N3O2
• Molecular Weight: 275.35 g/mol
• Exact Mass: 275.16
• IUPAC Name: (3R)-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrrolidine-1-carboxylic acid
• SMILES: O=C(O)N1CC[C@@H](CCc2ccc3c(n2)NCCC3)C1
• InChI: InChI=1S/C15H21N3O2/c19-15(20)18-9-7-11(10-18)3-5-13-6-4-12-2-1-8-16-14(12)17-13/h4,6,11H,1-3,5,7-10H2,(H,16,17)(H,19,20)/t11-/m1/s1
• InChIKey: XRBDZMFELLTXNN-LLVKDONJSA-N
• XLogP: 2.37
• TPSA: 65.46 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	275.35
LogP ≤ 5	2.37
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrrolidine-1-carboxylic acid?

The IUPAC name of (3R)-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrrolidine-1-carboxylic acid (CID 135156560) is (3R)-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrrolidine-1-carboxylic acid.

What is the SMILES notation for (3R)-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrrolidine-1-carboxylic acid?

The canonical SMILES for (3R)-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrrolidine-1-carboxylic acid is O=C(O)N1CC[C@@H](CCc2ccc3c(n2)NCCC3)C1.

What is the InChIKey of (3R)-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrrolidine-1-carboxylic acid?

The InChIKey is XRBDZMFELLTXNN-LLVKDONJSA-N. The full InChI is InChI=1S/C15H21N3O2/c19-15(20)18-9-7-11(10-18)3-5-13-6-4-12-2-1-8-16-14(12)17-13/h4,6,11H,1-3,5,7-10H2,(H,16,17)(H,19,20)/t11-/m1/s1.

What are the key properties of (3R)-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrrolidine-1-carboxylic acid?

(3R)-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrrolidine-1-carboxylic acid has a molecular weight of 275.35 g/mol, XLogP of 2.37, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 135156560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).