8-[(2R)-2-amino-3-methylbutanoyl]-3-[2-[2-methoxyethyl(methyl)amino]ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;dihydrochloride

C18H36Cl2N4O4 — CID 154896333

About 8-[(2R)-2-amino-3-methylbutanoyl]-3-[2-[2-methoxyethyl(methyl)amino]ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;dihydrochloride

8-[(2R)-2-amino-3-methylbutanoyl]-3-[2-[2-methoxyethyl(methyl)amino]ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;dihydrochloride (PubChem CID 154896333) has the molecular formula C18H36Cl2N4O4 and a molecular weight of 443.42 g/mol. Its IUPAC name is 8-[(2R)-2-amino-3-methylbutanoyl]-3-[2-[2-methoxyethyl(methyl)amino]ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;dihydrochloride.

Molecular Properties

• Compound Name: 8-[(2R)-2-amino-3-methylbutanoyl]-3-[2-[2-methoxyethyl(methyl)amino]ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;dihydrochloride
• PubChem CID: 154896333
• Molecular Formula: C18H36Cl2N4O4
• Molecular Weight: 443.42 g/mol
• Exact Mass: 442.21
• IUPAC Name: 8-[(2R)-2-amino-3-methylbutanoyl]-3-[2-[2-methoxyethyl(methyl)amino]ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;dihydrochloride
• SMILES: COCCN(C)CCN1CC2(CCN(C(=O)[C@H](N)C(C)C)CC2)OC1=O.Cl.Cl
• InChI: InChI=1S/C18H34N4O4.2ClH/c1-14(2)15(19)16(23)21-7-5-18(6-8-21)13-22(17(24)26-18)10-9-20(3)11-12-25-4;;/h14-15H,5-13,19H2,1-4H3;2*1H/t15-;;/m1../s1
• InChIKey: RWOBPGNEEZETMT-QCUBGVIVSA-N
• XLogP: 1.20
• TPSA: 88.34 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	443.42
LogP ≤ 5	1.20
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 8-[(2R)-2-amino-3-methylbutanoyl]-3-[2-[2-methoxyethyl(methyl)amino]ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;dihydrochloride?

The IUPAC name of 8-[(2R)-2-amino-3-methylbutanoyl]-3-[2-[2-methoxyethyl(methyl)amino]ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;dihydrochloride (CID 154896333) is 8-[(2R)-2-amino-3-methylbutanoyl]-3-[2-[2-methoxyethyl(methyl)amino]ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;dihydrochloride.

What is the SMILES notation for 8-[(2R)-2-amino-3-methylbutanoyl]-3-[2-[2-methoxyethyl(methyl)amino]ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;dihydrochloride?

The canonical SMILES for 8-[(2R)-2-amino-3-methylbutanoyl]-3-[2-[2-methoxyethyl(methyl)amino]ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;dihydrochloride is COCCN(C)CCN1CC2(CCN(C(=O)[C@H](N)C(C)C)CC2)OC1=O.Cl.Cl.

What is the InChIKey of 8-[(2R)-2-amino-3-methylbutanoyl]-3-[2-[2-methoxyethyl(methyl)amino]ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;dihydrochloride?

The InChIKey is RWOBPGNEEZETMT-QCUBGVIVSA-N. The full InChI is InChI=1S/C18H34N4O4.2ClH/c1-14(2)15(19)16(23)21-7-5-18(6-8-21)13-22(17(24)26-18)10-9-20(3)11-12-25-4;;/h14-15H,5-13,19H2,1-4H3;2*1H/t15-;;/m1../s1.

What are the key properties of 8-[(2R)-2-amino-3-methylbutanoyl]-3-[2-[2-methoxyethyl(methyl)amino]ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;dihydrochloride?

8-[(2R)-2-amino-3-methylbutanoyl]-3-[2-[2-methoxyethyl(methyl)amino]ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;dihydrochloride has a molecular weight of 443.42 g/mol, XLogP of 1.20, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[(2R)-2-amino-3-methylbutanoyl]-3-[2-[2-methoxyethyl(methyl)amino]ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;dihydrochloride is sourced from PubChem (CID 154896333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).