3-ethyl-2-[4-[methoxycarbonyl(propan-2-yl)amino]piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylic acid

C20H35N3O4 — CID 155407873

About 3-ethyl-2-[4-[methoxycarbonyl(propan-2-yl)amino]piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylic acid

3-ethyl-2-[4-[methoxycarbonyl(propan-2-yl)amino]piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylic acid (PubChem CID 155407873) has the molecular formula C20H35N3O4 and a molecular weight of 381.52 g/mol. Its IUPAC name is 3-ethyl-2-[4-[methoxycarbonyl(propan-2-yl)amino]piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylic acid.

Molecular Properties

• Compound Name: 3-ethyl-2-[4-[methoxycarbonyl(propan-2-yl)amino]piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylic acid
• PubChem CID: 155407873
• Molecular Formula: C20H35N3O4
• Molecular Weight: 381.52 g/mol
• Exact Mass: 381.26
• IUPAC Name: 3-ethyl-2-[4-[methoxycarbonyl(propan-2-yl)amino]piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylic acid
• SMILES: CCC1C(N2CCC(N(C(=O)OC)C(C)C)CC2)CC12CCN(C(=O)O)C2
• InChI: InChI=1S/C20H35N3O4/c1-5-16-17(12-20(16)8-11-22(13-20)18(24)25)21-9-6-15(7-10-21)23(14(2)3)19(26)27-4/h14-17H,5-13H2,1-4H3,(H,24,25)
• InChIKey: WLYRFFXHFSEENQ-UHFFFAOYSA-N
• XLogP: 3.10
• TPSA: 73.32 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	381.52
LogP ≤ 5	3.10
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-[4-[methoxycarbonyl(propan-2-yl)amino]piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylic acid?

The IUPAC name of 3-ethyl-2-[4-[methoxycarbonyl(propan-2-yl)amino]piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylic acid (CID 155407873) is 3-ethyl-2-[4-[methoxycarbonyl(propan-2-yl)amino]piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylic acid.

What is the SMILES notation for 3-ethyl-2-[4-[methoxycarbonyl(propan-2-yl)amino]piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylic acid?

The canonical SMILES for 3-ethyl-2-[4-[methoxycarbonyl(propan-2-yl)amino]piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylic acid is CCC1C(N2CCC(N(C(=O)OC)C(C)C)CC2)CC12CCN(C(=O)O)C2.

What is the InChIKey of 3-ethyl-2-[4-[methoxycarbonyl(propan-2-yl)amino]piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylic acid?

The InChIKey is WLYRFFXHFSEENQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N3O4/c1-5-16-17(12-20(16)8-11-22(13-20)18(24)25)21-9-6-15(7-10-21)23(14(2)3)19(26)27-4/h14-17H,5-13H2,1-4H3,(H,24,25).

What are the key properties of 3-ethyl-2-[4-[methoxycarbonyl(propan-2-yl)amino]piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylic acid?

3-ethyl-2-[4-[methoxycarbonyl(propan-2-yl)amino]piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylic acid has a molecular weight of 381.52 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-ethyl-2-[4-[methoxycarbonyl(propan-2-yl)amino]piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylic acid is sourced from PubChem (CID 155407873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).