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

C14H24N2O4 — CID 21153112

IUPAC1-(dimethylamino)ethyl 6-methyl-2-oxo-1-oxa-3-azaspiro[4.5]decane-3-carboxylate
SMILESCC(OC(=O)N1CC2(CCCCC2C)OC1=O)N(C)C
InChIInChI=1S/C14H24N2O4/c1-10-7-5-6-8-14(10)9-16(13(18)20-14)12(17)19-11(2)15(3)4/h10-11H,5-9H2,1-4H3
InChIKeyTZYWTEPVWRHZGG-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.43
Rot. Bonds2

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

1-(dimethylamino)ethyl 6-methyl-2-oxo-1-oxa-3-azaspiro[4.5]decane-3-carboxylate (PubChem CID 21153112) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is 1-(dimethylamino)ethyl 6-methyl-2-oxo-1-oxa-3-azaspiro[4.5]decane-3-carboxylate.

Molecular Properties

Compound Name1-(dimethylamino)ethyl 6-methyl-2-oxo-1-oxa-3-azaspiro[4.5]decane-3-carboxylate
PubChem CID21153112
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Name1-(dimethylamino)ethyl 6-methyl-2-oxo-1-oxa-3-azaspiro[4.5]decane-3-carboxylate
SMILESCC(OC(=O)N1CC2(CCCCC2C)OC1=O)N(C)C
InChIInChI=1S/C14H24N2O4/c1-10-7-5-6-8-14(10)9-16(13(18)20-14)12(17)19-11(2)15(3)4/h10-11H,5-9H2,1-4H3
InChIKeyTZYWTEPVWRHZGG-UHFFFAOYSA-N
XLogP2.43
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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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 7,8-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 2-oxo-1-oxa-3-azaspiro[4.5]decane-3-carboxylate
CID 212367
2-(Dimethylamino)ethyl 8-ethyl-2-oxo-1-oxa-3-azaspiro[4.5]decane-3-carboxylate
CID 3055078
2-(dimethylamino)ethyl (6R)-6-methyl-2-oxo-1-oxa-3-azaspiro[4.5]decane-3-carboxylate
CID 3055080

Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)ethyl 6-methyl-2-oxo-1-oxa-3-azaspiro[4.5]decane-3-carboxylate?
The IUPAC name of 1-(dimethylamino)ethyl 6-methyl-2-oxo-1-oxa-3-azaspiro[4.5]decane-3-carboxylate (CID 21153112) is 1-(dimethylamino)ethyl 6-methyl-2-oxo-1-oxa-3-azaspiro[4.5]decane-3-carboxylate.
What is the SMILES notation for 1-(dimethylamino)ethyl 6-methyl-2-oxo-1-oxa-3-azaspiro[4.5]decane-3-carboxylate?
The canonical SMILES for 1-(dimethylamino)ethyl 6-methyl-2-oxo-1-oxa-3-azaspiro[4.5]decane-3-carboxylate is CC(OC(=O)N1CC2(CCCCC2C)OC1=O)N(C)C.
What is the InChIKey of 1-(dimethylamino)ethyl 6-methyl-2-oxo-1-oxa-3-azaspiro[4.5]decane-3-carboxylate?
The InChIKey is TZYWTEPVWRHZGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4/c1-10-7-5-6-8-14(10)9-16(13(18)20-14)12(17)19-11(2)15(3)4/h10-11H,5-9H2,1-4H3.
What are the key properties of 1-(dimethylamino)ethyl 6-methyl-2-oxo-1-oxa-3-azaspiro[4.5]decane-3-carboxylate?
1-(dimethylamino)ethyl 6-methyl-2-oxo-1-oxa-3-azaspiro[4.5]decane-3-carboxylate has a molecular weight of 284.36 g/mol, XLogP of 2.43, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)ethyl 6-methyl-2-oxo-1-oxa-3-azaspiro[4.5]decane-3-carboxylate is sourced from PubChem (CID 21153112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).