cyclopentyl 4-[2-[6-amino-9-[(2R,5S)-5-(cyclopropylcarbamoyl)-3,4-dihydroxyoxolan-2-yl]purin-2-yl]ethyl]piperidine-1-carboxylate

C26H37N7O6 — CID 70915452

About cyclopentyl 4-[2-[6-amino-9-[(2R,5S)-5-(cyclopropylcarbamoyl)-3,4-dihydroxyoxolan-2-yl]purin-2-yl]ethyl]piperidine-1-carboxylate

cyclopentyl 4-[2-[6-amino-9-[(2R,5S)-5-(cyclopropylcarbamoyl)-3,4-dihydroxyoxolan-2-yl]purin-2-yl]ethyl]piperidine-1-carboxylate (PubChem CID 70915452) has the molecular formula C26H37N7O6 and a molecular weight of 543.63 g/mol. Its IUPAC name is cyclopentyl 4-[2-[6-amino-9-[(2R,5S)-5-(cyclopropylcarbamoyl)-3,4-dihydroxyoxolan-2-yl]purin-2-yl]ethyl]piperidine-1-carboxylate.

Molecular Properties

• Compound Name: cyclopentyl 4-[2-[6-amino-9-[(2R,5S)-5-(cyclopropylcarbamoyl)-3,4-dihydroxyoxolan-2-yl]purin-2-yl]ethyl]piperidine-1-carboxylate
• PubChem CID: 70915452
• Molecular Formula: C26H37N7O6
• Molecular Weight: 543.63 g/mol
• Exact Mass: 543.28
• IUPAC Name: cyclopentyl 4-[2-[6-amino-9-[(2R,5S)-5-(cyclopropylcarbamoyl)-3,4-dihydroxyoxolan-2-yl]purin-2-yl]ethyl]piperidine-1-carboxylate
• SMILES: Nc1nc(CCC2CCN(C(=O)OC3CCCC3)CC2)nc2c1ncn2[C@@H]1O[C@H](C(=O)NC2CC2)C(O)C1O
• InChI: InChI=1S/C26H37N7O6/c27-22-18-23(33(13-28-18)25-20(35)19(34)21(39-25)24(36)29-15-6-7-15)31-17(30-22)8-5-14-9-11-32(12-10-14)26(37)38-16-3-1-2-4-16/h13-16,19-21,25,34-35H,1-12H2,(H,29,36)(H2,27,30,31)/t19?,20?,21-,25+/m0/s1
• InChIKey: HPDFATKNYCSFHB-DOTFVUQSSA-N
• XLogP: 1.03
• TPSA: 177.95 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 11
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	543.63
LogP ≤ 5	1.03
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

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

The IUPAC name of cyclopentyl 4-[2-[6-amino-9-[(2R,5S)-5-(cyclopropylcarbamoyl)-3,4-dihydroxyoxolan-2-yl]purin-2-yl]ethyl]piperidine-1-carboxylate (CID 70915452) is cyclopentyl 4-[2-[6-amino-9-[(2R,5S)-5-(cyclopropylcarbamoyl)-3,4-dihydroxyoxolan-2-yl]purin-2-yl]ethyl]piperidine-1-carboxylate.

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

The canonical SMILES for cyclopentyl 4-[2-[6-amino-9-[(2R,5S)-5-(cyclopropylcarbamoyl)-3,4-dihydroxyoxolan-2-yl]purin-2-yl]ethyl]piperidine-1-carboxylate is Nc1nc(CCC2CCN(C(=O)OC3CCCC3)CC2)nc2c1ncn2[C@@H]1O[C@H](C(=O)NC2CC2)C(O)C1O.

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

The InChIKey is HPDFATKNYCSFHB-DOTFVUQSSA-N. The full InChI is InChI=1S/C26H37N7O6/c27-22-18-23(33(13-28-18)25-20(35)19(34)21(39-25)24(36)29-15-6-7-15)31-17(30-22)8-5-14-9-11-32(12-10-14)26(37)38-16-3-1-2-4-16/h13-16,19-21,25,34-35H,1-12H2,(H,29,36)(H2,27,30,31)/t19?,20?,21-,25+/m0/s1.

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

cyclopentyl 4-[2-[6-amino-9-[(2R,5S)-5-(cyclopropylcarbamoyl)-3,4-dihydroxyoxolan-2-yl]purin-2-yl]ethyl]piperidine-1-carboxylate has a molecular weight of 543.63 g/mol, XLogP of 1.03, 7 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for cyclopentyl 4-[2-[6-amino-9-[(2R,5S)-5-(cyclopropylcarbamoyl)-3,4-dihydroxyoxolan-2-yl]purin-2-yl]ethyl]piperidine-1-carboxylate is sourced from PubChem (CID 70915452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).