8-(2-aminoacetyl)-3-[2-[3-(dimethylamino)pyrrolidin-1-yl]ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;dihydrochloride

C17H33Cl2N5O3 — CID 154897303

About 8-(2-aminoacetyl)-3-[2-[3-(dimethylamino)pyrrolidin-1-yl]ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;dihydrochloride

8-(2-aminoacetyl)-3-[2-[3-(dimethylamino)pyrrolidin-1-yl]ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;dihydrochloride (PubChem CID 154897303) has the molecular formula C17H33Cl2N5O3 and a molecular weight of 426.39 g/mol. Its IUPAC name is 8-(2-aminoacetyl)-3-[2-[3-(dimethylamino)pyrrolidin-1-yl]ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;dihydrochloride.

Molecular Properties

• Compound Name: 8-(2-aminoacetyl)-3-[2-[3-(dimethylamino)pyrrolidin-1-yl]ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;dihydrochloride
• PubChem CID: 154897303
• Molecular Formula: C17H33Cl2N5O3
• Molecular Weight: 426.39 g/mol
• Exact Mass: 425.20
• IUPAC Name: 8-(2-aminoacetyl)-3-[2-[3-(dimethylamino)pyrrolidin-1-yl]ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;dihydrochloride
• SMILES: CN(C)C1CCN(CCN2CC3(CCN(C(=O)CN)CC3)OC2=O)C1.Cl.Cl
• InChI: InChI=1S/C17H31N5O3.2ClH/c1-19(2)14-3-6-20(12-14)9-10-22-13-17(25-16(22)24)4-7-21(8-5-17)15(23)11-18;;/h14H,3-13,18H2,1-2H3;2*1H
• InChIKey: MOZOIJOJRLTDHK-UHFFFAOYSA-N
• XLogP: 0.24
• TPSA: 82.35 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	426.39
LogP ≤ 5	0.24
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 8-(2-aminoacetyl)-3-[2-[3-(dimethylamino)pyrrolidin-1-yl]ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;dihydrochloride?

The IUPAC name of 8-(2-aminoacetyl)-3-[2-[3-(dimethylamino)pyrrolidin-1-yl]ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;dihydrochloride (CID 154897303) is 8-(2-aminoacetyl)-3-[2-[3-(dimethylamino)pyrrolidin-1-yl]ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;dihydrochloride.

What is the SMILES notation for 8-(2-aminoacetyl)-3-[2-[3-(dimethylamino)pyrrolidin-1-yl]ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;dihydrochloride?

The canonical SMILES for 8-(2-aminoacetyl)-3-[2-[3-(dimethylamino)pyrrolidin-1-yl]ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;dihydrochloride is CN(C)C1CCN(CCN2CC3(CCN(C(=O)CN)CC3)OC2=O)C1.Cl.Cl.

What is the InChIKey of 8-(2-aminoacetyl)-3-[2-[3-(dimethylamino)pyrrolidin-1-yl]ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;dihydrochloride?

The InChIKey is MOZOIJOJRLTDHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N5O3.2ClH/c1-19(2)14-3-6-20(12-14)9-10-22-13-17(25-16(22)24)4-7-21(8-5-17)15(23)11-18;;/h14H,3-13,18H2,1-2H3;2*1H.

What are the key properties of 8-(2-aminoacetyl)-3-[2-[3-(dimethylamino)pyrrolidin-1-yl]ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;dihydrochloride?

8-(2-aminoacetyl)-3-[2-[3-(dimethylamino)pyrrolidin-1-yl]ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;dihydrochloride has a molecular weight of 426.39 g/mol, XLogP of 0.24, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(2-aminoacetyl)-3-[2-[3-(dimethylamino)pyrrolidin-1-yl]ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;dihydrochloride is sourced from PubChem (CID 154897303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).