Oxolan-3-yl 4-[[6-amino-9-[(2R,5S)-5-(cyclopropylcarbamoyl)oxolan-2-yl]purin-2-yl]methyl]piperidine-1-carboxylate

C₂₄H₃₃N₇O₅ — CID 143826821

About Oxolan-3-yl 4-[[6-amino-9-[(2R,5S)-5-(cyclopropylcarbamoyl)oxolan-2-yl]purin-2-yl]methyl]piperidine-1-carboxylate

Oxolan-3-yl 4-[[6-amino-9-[(2R,5S)-5-(cyclopropylcarbamoyl)oxolan-2-yl]purin-2-yl]methyl]piperidine-1-carboxylate (PubChem CID 143826821) has the molecular formula C₂₄H₃₃N₇O₅ and a molecular weight of 499.57 g/mol. Its IUPAC name is oxolan-3-yl 4-[[6-amino-9-[(2R,5S)-5-(cyclopropylcarbamoyl)oxolan-2-yl]purin-2-yl]methyl]piperidine-1-carboxylate.

Molecular Properties

• Compound Name: Oxolan-3-yl 4-[[6-amino-9-[(2R,5S)-5-(cyclopropylcarbamoyl)oxolan-2-yl]purin-2-yl]methyl]piperidine-1-carboxylate
• PubChem CID: 143826821
• Molecular Formula: C₂₄H₃₃N₇O₅
• Molecular Weight: 499.57 g/mol
• Exact Mass: 499.25
• IUPAC Name: oxolan-3-yl 4-[[6-amino-9-[(2R,5S)-5-(cyclopropylcarbamoyl)oxolan-2-yl]purin-2-yl]methyl]piperidine-1-carboxylate
• SMILES: Nc1nc(CC2CCN(C(=O)OC3CCOC3)CC2)nc2c1ncn2[C@H]1CC[C@@H](C(=O)NC2CC2)O1
• InChI: InChI=1S/C24H33N7O5/c25-21-20-22(31(13-26-20)19-4-3-17(36-19)23(32)27-15-1-2-15)29-18(28-21)11-14-5-8-30(9-6-14)24(33)35-16-7-10-34-12-16/h13-17,19H,1-12H2,(H,27,32)(H2,25,28,29)/t16?,17-,19+/m0/s1
• InChIKey: OANAUEJAEYKZEG-WFTITGEASA-N
• XLogP: 1.54
• TPSA: 146.72 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	499.57
LogP ≤ 5	1.54
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of Oxolan-3-yl 4-[[6-amino-9-[(2R,5S)-5-(cyclopropylcarbamoyl)oxolan-2-yl]purin-2-yl]methyl]piperidine-1-carboxylate?

The IUPAC name of Oxolan-3-yl 4-[[6-amino-9-[(2R,5S)-5-(cyclopropylcarbamoyl)oxolan-2-yl]purin-2-yl]methyl]piperidine-1-carboxylate (CID 143826821) is oxolan-3-yl 4-[[6-amino-9-[(2R,5S)-5-(cyclopropylcarbamoyl)oxolan-2-yl]purin-2-yl]methyl]piperidine-1-carboxylate.

What is the SMILES notation for Oxolan-3-yl 4-[[6-amino-9-[(2R,5S)-5-(cyclopropylcarbamoyl)oxolan-2-yl]purin-2-yl]methyl]piperidine-1-carboxylate?

The canonical SMILES for Oxolan-3-yl 4-[[6-amino-9-[(2R,5S)-5-(cyclopropylcarbamoyl)oxolan-2-yl]purin-2-yl]methyl]piperidine-1-carboxylate is Nc1nc(CC2CCN(C(=O)OC3CCOC3)CC2)nc2c1ncn2[C@H]1CC[C@@H](C(=O)NC2CC2)O1.

What is the InChIKey of Oxolan-3-yl 4-[[6-amino-9-[(2R,5S)-5-(cyclopropylcarbamoyl)oxolan-2-yl]purin-2-yl]methyl]piperidine-1-carboxylate?

The InChIKey is OANAUEJAEYKZEG-WFTITGEASA-N. The full InChI is InChI=1S/C24H33N7O5/c25-21-20-22(31(13-26-20)19-4-3-17(36-19)23(32)27-15-1-2-15)29-18(28-21)11-14-5-8-30(9-6-14)24(33)35-16-7-10-34-12-16/h13-17,19H,1-12H2,(H,27,32)(H2,25,28,29)/t16?,17-,19+/m0/s1.

What are the key properties of Oxolan-3-yl 4-[[6-amino-9-[(2R,5S)-5-(cyclopropylcarbamoyl)oxolan-2-yl]purin-2-yl]methyl]piperidine-1-carboxylate?

Oxolan-3-yl 4-[[6-amino-9-[(2R,5S)-5-(cyclopropylcarbamoyl)oxolan-2-yl]purin-2-yl]methyl]piperidine-1-carboxylate has a molecular weight of 499.57 g/mol, XLogP of 1.54, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for Oxolan-3-yl 4-[[6-amino-9-[(2R,5S)-5-(cyclopropylcarbamoyl)oxolan-2-yl]purin-2-yl]methyl]piperidine-1-carboxylate is sourced from PubChem (CID 143826821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 143826821 — identifiers, structure, computed properties (public domain)

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