2-(dimethylamino)ethyl (5S,6S)-6-methyl-2-oxo-1-oxa-3-azaspiro[4.5]decane-3-carboxylate

C14H24N2O4 — CID 90475533

About 2-(dimethylamino)ethyl (5S,6S)-6-methyl-2-oxo-1-oxa-3-azaspiro[4.5]decane-3-carboxylate

2-(dimethylamino)ethyl (5S,6S)-6-methyl-2-oxo-1-oxa-3-azaspiro[4.5]decane-3-carboxylate (PubChem CID 90475533) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-(dimethylamino)ethyl (5S,6S)-6-methyl-2-oxo-1-oxa-3-azaspiro[4.5]decane-3-carboxylate.

Molecular Properties

• Compound Name: 2-(dimethylamino)ethyl (5S,6S)-6-methyl-2-oxo-1-oxa-3-azaspiro[4.5]decane-3-carboxylate
• PubChem CID: 90475533
• Molecular Formula: C14H24N2O4
• Molecular Weight: 284.36 g/mol
• Exact Mass: 284.17
• IUPAC Name: 2-(dimethylamino)ethyl (5S,6S)-6-methyl-2-oxo-1-oxa-3-azaspiro[4.5]decane-3-carboxylate
• SMILES: C[C@H]1CCCC[C@@]12CN(C(=O)OCCN(C)C)C(=O)O2
• InChI: InChI=1S/C14H24N2O4/c1-11-6-4-5-7-14(11)10-16(13(18)20-14)12(17)19-9-8-15(2)3/h11H,4-10H2,1-3H3/t11-,14+/m0/s1
• InChIKey: VCVWOJLNJCEKLD-SMDDNHRTSA-N
• XLogP: 2.09
• TPSA: 59.08 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	284.36
LogP ≤ 5	2.09
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)ethyl (5S,6S)-6-methyl-2-oxo-1-oxa-3-azaspiro[4.5]decane-3-carboxylate?

The IUPAC name of 2-(dimethylamino)ethyl (5S,6S)-6-methyl-2-oxo-1-oxa-3-azaspiro[4.5]decane-3-carboxylate (CID 90475533) is 2-(dimethylamino)ethyl (5S,6S)-6-methyl-2-oxo-1-oxa-3-azaspiro[4.5]decane-3-carboxylate.

What is the SMILES notation for 2-(dimethylamino)ethyl (5S,6S)-6-methyl-2-oxo-1-oxa-3-azaspiro[4.5]decane-3-carboxylate?

The canonical SMILES for 2-(dimethylamino)ethyl (5S,6S)-6-methyl-2-oxo-1-oxa-3-azaspiro[4.5]decane-3-carboxylate is C[C@H]1CCCC[C@@]12CN(C(=O)OCCN(C)C)C(=O)O2.

What is the InChIKey of 2-(dimethylamino)ethyl (5S,6S)-6-methyl-2-oxo-1-oxa-3-azaspiro[4.5]decane-3-carboxylate?

The InChIKey is VCVWOJLNJCEKLD-SMDDNHRTSA-N. The full InChI is InChI=1S/C14H24N2O4/c1-11-6-4-5-7-14(11)10-16(13(18)20-14)12(17)19-9-8-15(2)3/h11H,4-10H2,1-3H3/t11-,14+/m0/s1.

What are the key properties of 2-(dimethylamino)ethyl (5S,6S)-6-methyl-2-oxo-1-oxa-3-azaspiro[4.5]decane-3-carboxylate?

2-(dimethylamino)ethyl (5S,6S)-6-methyl-2-oxo-1-oxa-3-azaspiro[4.5]decane-3-carboxylate has a molecular weight of 284.36 g/mol, XLogP of 2.09, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(dimethylamino)ethyl (5S,6S)-6-methyl-2-oxo-1-oxa-3-azaspiro[4.5]decane-3-carboxylate is sourced from PubChem (CID 90475533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).