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

C14H25ClN2O4 — CID 3055079

IUPAC2-(dimethylamino)ethyl (6R)-6-methyl-2-oxo-1-oxa-3-azaspiro[4.5]decane-3-carboxylate;hydrochloride
SMILESC[C@@H]1CCCCC12CN(C(=O)OCCN(C)C)C(=O)O2.Cl
InChIInChI=1S/C14H24N2O4.ClH/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;1H/t11-,14?;/m1./s1
InChIKeyBZEXNRUZLACPGP-JEVWNTBDSA-N
MW320.82 g/mol
LogP2.51
Rot. Bonds3

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

2-(dimethylamino)ethyl (6R)-6-methyl-2-oxo-1-oxa-3-azaspiro[4.5]decane-3-carboxylate;hydrochloride (PubChem CID 3055079) has the molecular formula C14H25ClN2O4 and a molecular weight of 320.82 g/mol. Its IUPAC name is 2-(dimethylamino)ethyl (6R)-6-methyl-2-oxo-1-oxa-3-azaspiro[4.5]decane-3-carboxylate;hydrochloride.

Molecular Properties

Compound Name2-(dimethylamino)ethyl (6R)-6-methyl-2-oxo-1-oxa-3-azaspiro[4.5]decane-3-carboxylate;hydrochloride
PubChem CID3055079
Molecular FormulaC14H25ClN2O4
Molecular Weight320.82 g/mol
Exact Mass320.15
IUPAC Name2-(dimethylamino)ethyl (6R)-6-methyl-2-oxo-1-oxa-3-azaspiro[4.5]decane-3-carboxylate;hydrochloride
SMILESC[C@@H]1CCCCC12CN(C(=O)OCCN(C)C)C(=O)O2.Cl
InChIInChI=1S/C14H24N2O4.ClH/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;1H/t11-,14?;/m1./s1
InChIKeyBZEXNRUZLACPGP-JEVWNTBDSA-N
XLogP2.51
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.82
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)ethyl (6R)-6-methyl-2-oxo-1-oxa-3-azaspiro[4.5]decane-3-carboxylate;hydrochloride?
The IUPAC name of 2-(dimethylamino)ethyl (6R)-6-methyl-2-oxo-1-oxa-3-azaspiro[4.5]decane-3-carboxylate;hydrochloride (CID 3055079) is 2-(dimethylamino)ethyl (6R)-6-methyl-2-oxo-1-oxa-3-azaspiro[4.5]decane-3-carboxylate;hydrochloride.
What is the SMILES notation for 2-(dimethylamino)ethyl (6R)-6-methyl-2-oxo-1-oxa-3-azaspiro[4.5]decane-3-carboxylate;hydrochloride?
The canonical SMILES for 2-(dimethylamino)ethyl (6R)-6-methyl-2-oxo-1-oxa-3-azaspiro[4.5]decane-3-carboxylate;hydrochloride is C[C@@H]1CCCCC12CN(C(=O)OCCN(C)C)C(=O)O2.Cl.
What is the InChIKey of 2-(dimethylamino)ethyl (6R)-6-methyl-2-oxo-1-oxa-3-azaspiro[4.5]decane-3-carboxylate;hydrochloride?
The InChIKey is BZEXNRUZLACPGP-JEVWNTBDSA-N. The full InChI is InChI=1S/C14H24N2O4.ClH/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;1H/t11-,14?;/m1./s1.
What are the key properties of 2-(dimethylamino)ethyl (6R)-6-methyl-2-oxo-1-oxa-3-azaspiro[4.5]decane-3-carboxylate;hydrochloride?
2-(dimethylamino)ethyl (6R)-6-methyl-2-oxo-1-oxa-3-azaspiro[4.5]decane-3-carboxylate;hydrochloride has a molecular weight of 320.82 g/mol, XLogP of 2.51, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)ethyl (6R)-6-methyl-2-oxo-1-oxa-3-azaspiro[4.5]decane-3-carboxylate;hydrochloride is sourced from PubChem (CID 3055079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).