methyl 6-[4-[(2R)-2-ethyl-5-oxopyrrolidin-1-yl]piperidin-1-yl]-2-azaspiro[3.4]octane-2-carboxylate

C20H33N3O3 — CID 126526004

About methyl 6-[4-[(2R)-2-ethyl-5-oxopyrrolidin-1-yl]piperidin-1-yl]-2-azaspiro[3.4]octane-2-carboxylate

methyl 6-[4-[(2R)-2-ethyl-5-oxopyrrolidin-1-yl]piperidin-1-yl]-2-azaspiro[3.4]octane-2-carboxylate (PubChem CID 126526004) has the molecular formula C20H33N3O3 and a molecular weight of 363.50 g/mol. Its IUPAC name is methyl 6-[4-[(2R)-2-ethyl-5-oxopyrrolidin-1-yl]piperidin-1-yl]-2-azaspiro[3.4]octane-2-carboxylate.

Molecular Properties

• Compound Name: methyl 6-[4-[(2R)-2-ethyl-5-oxopyrrolidin-1-yl]piperidin-1-yl]-2-azaspiro[3.4]octane-2-carboxylate
• PubChem CID: 126526004
• Molecular Formula: C20H33N3O3
• Molecular Weight: 363.50 g/mol
• Exact Mass: 363.25
• IUPAC Name: methyl 6-[4-[(2R)-2-ethyl-5-oxopyrrolidin-1-yl]piperidin-1-yl]-2-azaspiro[3.4]octane-2-carboxylate
• SMILES: CC[C@@H]1CCC(=O)N1C1CCN(C2CCC3(C2)CN(C(=O)OC)C3)CC1
• InChI: InChI=1S/C20H33N3O3/c1-3-15-4-5-18(24)23(15)16-7-10-21(11-8-16)17-6-9-20(12-17)13-22(14-20)19(25)26-2/h15-17H,3-14H2,1-2H3/t15-,17?/m1/s1
• InChIKey: WSRWHKRSNQJSAT-LDCVWXEPSA-N
• XLogP: 2.47
• TPSA: 53.09 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	363.50
LogP ≤ 5	2.47
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of methyl 6-[4-[(2R)-2-ethyl-5-oxopyrrolidin-1-yl]piperidin-1-yl]-2-azaspiro[3.4]octane-2-carboxylate?

The IUPAC name of methyl 6-[4-[(2R)-2-ethyl-5-oxopyrrolidin-1-yl]piperidin-1-yl]-2-azaspiro[3.4]octane-2-carboxylate (CID 126526004) is methyl 6-[4-[(2R)-2-ethyl-5-oxopyrrolidin-1-yl]piperidin-1-yl]-2-azaspiro[3.4]octane-2-carboxylate.

What is the SMILES notation for methyl 6-[4-[(2R)-2-ethyl-5-oxopyrrolidin-1-yl]piperidin-1-yl]-2-azaspiro[3.4]octane-2-carboxylate?

The canonical SMILES for methyl 6-[4-[(2R)-2-ethyl-5-oxopyrrolidin-1-yl]piperidin-1-yl]-2-azaspiro[3.4]octane-2-carboxylate is CC[C@@H]1CCC(=O)N1C1CCN(C2CCC3(C2)CN(C(=O)OC)C3)CC1.

What is the InChIKey of methyl 6-[4-[(2R)-2-ethyl-5-oxopyrrolidin-1-yl]piperidin-1-yl]-2-azaspiro[3.4]octane-2-carboxylate?

The InChIKey is WSRWHKRSNQJSAT-LDCVWXEPSA-N. The full InChI is InChI=1S/C20H33N3O3/c1-3-15-4-5-18(24)23(15)16-7-10-21(11-8-16)17-6-9-20(12-17)13-22(14-20)19(25)26-2/h15-17H,3-14H2,1-2H3/t15-,17?/m1/s1.

What are the key properties of methyl 6-[4-[(2R)-2-ethyl-5-oxopyrrolidin-1-yl]piperidin-1-yl]-2-azaspiro[3.4]octane-2-carboxylate?

methyl 6-[4-[(2R)-2-ethyl-5-oxopyrrolidin-1-yl]piperidin-1-yl]-2-azaspiro[3.4]octane-2-carboxylate has a molecular weight of 363.50 g/mol, XLogP of 2.47, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 6-[4-[(2R)-2-ethyl-5-oxopyrrolidin-1-yl]piperidin-1-yl]-2-azaspiro[3.4]octane-2-carboxylate is sourced from PubChem (CID 126526004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).