2-(dimethylamino)ethyl 8-ethyl-2-oxo-1-oxa-3-azaspiro[4.5]decane-3-carboxylate

C15H26N2O4 — CID 3055078

IUPAC2-(dimethylamino)ethyl 8-ethyl-2-oxo-1-oxa-3-azaspiro[4.5]decane-3-carboxylate
SMILESCCC1CCC2(CC1)CN(C(=O)OCCN(C)C)C(=O)O2
InChIInChI=1S/C15H26N2O4/c1-4-12-5-7-15(8-6-12)11-17(14(19)21-15)13(18)20-10-9-16(2)3/h12H,4-11H2,1-3H3
InChIKeyRHKDRWNCJMHLQG-UHFFFAOYSA-N
MW298.38 g/mol
LogP2.48
Rot. Bonds4

About 2-(dimethylamino)ethyl 8-ethyl-2-oxo-1-oxa-3-azaspiro[4.5]decane-3-carboxylate

2-(dimethylamino)ethyl 8-ethyl-2-oxo-1-oxa-3-azaspiro[4.5]decane-3-carboxylate (PubChem CID 3055078) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is 2-(dimethylamino)ethyl 8-ethyl-2-oxo-1-oxa-3-azaspiro[4.5]decane-3-carboxylate.

Molecular Properties

Compound Name2-(dimethylamino)ethyl 8-ethyl-2-oxo-1-oxa-3-azaspiro[4.5]decane-3-carboxylate
PubChem CID3055078
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Name2-(dimethylamino)ethyl 8-ethyl-2-oxo-1-oxa-3-azaspiro[4.5]decane-3-carboxylate
SMILESCCC1CCC2(CC1)CN(C(=O)OCCN(C)C)C(=O)O2
InChIInChI=1S/C15H26N2O4/c1-4-12-5-7-15(8-6-12)11-17(14(19)21-15)13(18)20-10-9-16(2)3/h12H,4-11H2,1-3H3
InChIKeyRHKDRWNCJMHLQG-UHFFFAOYSA-N
XLogP2.48
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-Oxa-1-azaspiro(4.6)undecane-3-carboxylic acid, 2-oxo-, dimethylaminoethyl ester, hydrochloride
CID 199869
1-Oxa-3-azaspiro(4.5)decane-3-carboxylic acid, 2-oxo-, dimethylaminoethyl ester, hydrochloride
CID 212366
1-Oxa-3-azaspiro(4.5)decane-3-carboxylic acid, 6-methyl-2-oxo-, 2-dimethylaminoethyl ester, hydrochloride, (E)-
CID 3055079
2-(Dimethylamino)ethyl 2-oxo-1-oxa-3-azaspiro[4.6]undecane-3-carboxylate
CID 199870
2-(Dimethylamino)ethyl 7,7-dimethyl-2-oxo-1-oxa-3-azaspiro[4.5]decane-3-carboxylate
CID 199883
2-(Dimethylamino)ethyl 7,8-dimethyl-2-oxo-1-oxa-3-azaspiro[4.5]decane-3-carboxylate
CID 200021
2-(Dimethylamino)ethyl 2-oxo-1-oxa-3-azaspiro[4.7]dodecane-3-carboxylate
CID 202174
2-(dimethylamino)ethyl (7S)-7-methyl-2-oxo-1-oxa-3-azaspiro[4.5]decane-3-carboxylate
CID 212333
2-(Dimethylamino)ethyl 8-methyl-2-oxo-1-oxa-3-azaspiro[4.5]decane-3-carboxylate
CID 212337
2-(dimethylamino)ethyl (7S,9R)-7,9-dimethyl-2-oxo-1-oxa-3-azaspiro[4.5]decane-3-carboxylate
CID 212339
2-(dimethylamino)ethyl (4'aS,8'aS)-2-oxospiro[1,3-oxazolidine-5,7'-2,3,4,4a,5,6,8,8a-octahydro-1H-naphthalene]-3-carboxylate
CID 212341
2-(Dimethylamino)ethyl 2-oxo-1-oxa-3-azaspiro[4.5]decane-3-carboxylate
CID 212367

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)ethyl 8-ethyl-2-oxo-1-oxa-3-azaspiro[4.5]decane-3-carboxylate?
The IUPAC name of 2-(dimethylamino)ethyl 8-ethyl-2-oxo-1-oxa-3-azaspiro[4.5]decane-3-carboxylate (CID 3055078) is 2-(dimethylamino)ethyl 8-ethyl-2-oxo-1-oxa-3-azaspiro[4.5]decane-3-carboxylate.
What is the SMILES notation for 2-(dimethylamino)ethyl 8-ethyl-2-oxo-1-oxa-3-azaspiro[4.5]decane-3-carboxylate?
The canonical SMILES for 2-(dimethylamino)ethyl 8-ethyl-2-oxo-1-oxa-3-azaspiro[4.5]decane-3-carboxylate is CCC1CCC2(CC1)CN(C(=O)OCCN(C)C)C(=O)O2.
What is the InChIKey of 2-(dimethylamino)ethyl 8-ethyl-2-oxo-1-oxa-3-azaspiro[4.5]decane-3-carboxylate?
The InChIKey is RHKDRWNCJMHLQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O4/c1-4-12-5-7-15(8-6-12)11-17(14(19)21-15)13(18)20-10-9-16(2)3/h12H,4-11H2,1-3H3.
What are the key properties of 2-(dimethylamino)ethyl 8-ethyl-2-oxo-1-oxa-3-azaspiro[4.5]decane-3-carboxylate?
2-(dimethylamino)ethyl 8-ethyl-2-oxo-1-oxa-3-azaspiro[4.5]decane-3-carboxylate has a molecular weight of 298.38 g/mol, XLogP of 2.48, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)ethyl 8-ethyl-2-oxo-1-oxa-3-azaspiro[4.5]decane-3-carboxylate is sourced from PubChem (CID 3055078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).