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

C14H24N2O4 — CID 21153114

IUPAC2-(dimethylamino)ethyl 6-methyl-2-oxo-1-oxa-3-azaspiro[4.5]decane-3-carboxylate
SMILESCC1CCCCC12CN(C(=O)OCCN(C)C)C(=O)O2
InChIInChI=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
InChIKeyVCVWOJLNJCEKLD-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.09
Rot. Bonds3

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

2-(dimethylamino)ethyl 6-methyl-2-oxo-1-oxa-3-azaspiro[4.5]decane-3-carboxylate (PubChem CID 21153114) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-(dimethylamino)ethyl 6-methyl-2-oxo-1-oxa-3-azaspiro[4.5]decane-3-carboxylate.

Molecular Properties

Compound Name2-(dimethylamino)ethyl 6-methyl-2-oxo-1-oxa-3-azaspiro[4.5]decane-3-carboxylate
PubChem CID21153114
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Name2-(dimethylamino)ethyl 6-methyl-2-oxo-1-oxa-3-azaspiro[4.5]decane-3-carboxylate
SMILESCC1CCCCC12CN(C(=O)OCCN(C)C)C(=O)O2
InChIInChI=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
InChIKeyVCVWOJLNJCEKLD-UHFFFAOYSA-N
XLogP2.09
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.09
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 7,8-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 2-(dimethylamino)ethyl 6-methyl-2-oxo-1-oxa-3-azaspiro[4.5]decane-3-carboxylate?
The IUPAC name of 2-(dimethylamino)ethyl 6-methyl-2-oxo-1-oxa-3-azaspiro[4.5]decane-3-carboxylate (CID 21153114) is 2-(dimethylamino)ethyl 6-methyl-2-oxo-1-oxa-3-azaspiro[4.5]decane-3-carboxylate.
What is the SMILES notation for 2-(dimethylamino)ethyl 6-methyl-2-oxo-1-oxa-3-azaspiro[4.5]decane-3-carboxylate?
The canonical SMILES for 2-(dimethylamino)ethyl 6-methyl-2-oxo-1-oxa-3-azaspiro[4.5]decane-3-carboxylate is CC1CCCCC12CN(C(=O)OCCN(C)C)C(=O)O2.
What is the InChIKey of 2-(dimethylamino)ethyl 6-methyl-2-oxo-1-oxa-3-azaspiro[4.5]decane-3-carboxylate?
The InChIKey is VCVWOJLNJCEKLD-UHFFFAOYSA-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.
What are the key properties of 2-(dimethylamino)ethyl 6-methyl-2-oxo-1-oxa-3-azaspiro[4.5]decane-3-carboxylate?
2-(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 2.09, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)ethyl 6-methyl-2-oxo-1-oxa-3-azaspiro[4.5]decane-3-carboxylate is sourced from PubChem (CID 21153114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).