2-[(1R,5S)-3-[(7S)-7-methyl-2-[(2S)-2-methylazetidin-1-yl]-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]-3-azabicyclo[3.1.1]heptan-6-yl]acetic acid

C19H26N4O3 — CID 166793201

About 2-[(1R,5S)-3-[(7S)-7-methyl-2-[(2S)-2-methylazetidin-1-yl]-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]-3-azabicyclo[3.1.1]heptan-6-yl]acetic acid

2-[(1R,5S)-3-[(7S)-7-methyl-2-[(2S)-2-methylazetidin-1-yl]-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]-3-azabicyclo[3.1.1]heptan-6-yl]acetic acid (PubChem CID 166793201) has the molecular formula C19H26N4O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is 2-[(1R,5S)-3-[(7S)-7-methyl-2-[(2S)-2-methylazetidin-1-yl]-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]-3-azabicyclo[3.1.1]heptan-6-yl]acetic acid.

Molecular Properties

• Compound Name: 2-[(1R,5S)-3-[(7S)-7-methyl-2-[(2S)-2-methylazetidin-1-yl]-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]-3-azabicyclo[3.1.1]heptan-6-yl]acetic acid
• PubChem CID: 166793201
• Molecular Formula: C19H26N4O3
• Molecular Weight: 358.44 g/mol
• Exact Mass: 358.20
• IUPAC Name: 2-[(1R,5S)-3-[(7S)-7-methyl-2-[(2S)-2-methylazetidin-1-yl]-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]-3-azabicyclo[3.1.1]heptan-6-yl]acetic acid
• SMILES: C[C@@H]1OCc2c1nc(N1CC[C@@H]1C)nc2N1C[C@H]2C[C@@H](C1)C2CC(=O)O
• InChI: InChI=1S/C19H26N4O3/c1-10-3-4-23(10)19-20-17-11(2)26-9-15(17)18(21-19)22-7-12-5-13(8-22)14(12)6-16(24)25/h10-14H,3-9H2,1-2H3,(H,24,25)/t10-,11-,12-,13+,14?/m0/s1
• InChIKey: GFTNFCLBVKTWCH-CSHRUCKSSA-N
• XLogP: 2.21
• TPSA: 78.79 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	358.44
LogP ≤ 5	2.21
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[(1R,5S)-3-[(7S)-7-methyl-2-[(2S)-2-methylazetidin-1-yl]-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]-3-azabicyclo[3.1.1]heptan-6-yl]acetic acid?

The IUPAC name of 2-[(1R,5S)-3-[(7S)-7-methyl-2-[(2S)-2-methylazetidin-1-yl]-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]-3-azabicyclo[3.1.1]heptan-6-yl]acetic acid (CID 166793201) is 2-[(1R,5S)-3-[(7S)-7-methyl-2-[(2S)-2-methylazetidin-1-yl]-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]-3-azabicyclo[3.1.1]heptan-6-yl]acetic acid.

What is the SMILES notation for 2-[(1R,5S)-3-[(7S)-7-methyl-2-[(2S)-2-methylazetidin-1-yl]-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]-3-azabicyclo[3.1.1]heptan-6-yl]acetic acid?

The canonical SMILES for 2-[(1R,5S)-3-[(7S)-7-methyl-2-[(2S)-2-methylazetidin-1-yl]-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]-3-azabicyclo[3.1.1]heptan-6-yl]acetic acid is C[C@@H]1OCc2c1nc(N1CC[C@@H]1C)nc2N1C[C@H]2C[C@@H](C1)C2CC(=O)O.

What is the InChIKey of 2-[(1R,5S)-3-[(7S)-7-methyl-2-[(2S)-2-methylazetidin-1-yl]-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]-3-azabicyclo[3.1.1]heptan-6-yl]acetic acid?

The InChIKey is GFTNFCLBVKTWCH-CSHRUCKSSA-N. The full InChI is InChI=1S/C19H26N4O3/c1-10-3-4-23(10)19-20-17-11(2)26-9-15(17)18(21-19)22-7-12-5-13(8-22)14(12)6-16(24)25/h10-14H,3-9H2,1-2H3,(H,24,25)/t10-,11-,12-,13+,14?/m0/s1.

What are the key properties of 2-[(1R,5S)-3-[(7S)-7-methyl-2-[(2S)-2-methylazetidin-1-yl]-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]-3-azabicyclo[3.1.1]heptan-6-yl]acetic acid?

2-[(1R,5S)-3-[(7S)-7-methyl-2-[(2S)-2-methylazetidin-1-yl]-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]-3-azabicyclo[3.1.1]heptan-6-yl]acetic acid has a molecular weight of 358.44 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(1R,5S)-3-[(7S)-7-methyl-2-[(2S)-2-methylazetidin-1-yl]-5,7-dihydrofuro[3,4-d]pyrimidin-4-yl]-3-azabicyclo[3.1.1]heptan-6-yl]acetic acid is sourced from PubChem (CID 166793201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).