3,5-dimethyl-3-(7-methyl-2,6-dioxa-9-azaspiro[4.5]decane-9-carbonyl)hexanoic acid

C17H29NO5 — CID 132971279

IUPAC3,5-dimethyl-3-(7-methyl-2,6-dioxa-9-azaspiro[4.5]decane-9-carbonyl)hexanoic acid
SMILESCC(C)CC(C)(CC(=O)O)C(=O)N1CC(C)OC2(CCOC2)C1
InChIInChI=1S/C17H29NO5/c1-12(2)7-16(4,8-14(19)20)15(21)18-9-13(3)23-17(10-18)5-6-22-11-17/h12-13H,5-11H2,1-4H3,(H,19,20)
InChIKeyYUKNGHZERVNVRI-UHFFFAOYSA-N
MW327.42 g/mol
LogP1.92
Rot. Bonds5

About 3,5-dimethyl-3-(7-methyl-2,6-dioxa-9-azaspiro[4.5]decane-9-carbonyl)hexanoic acid

3,5-dimethyl-3-(7-methyl-2,6-dioxa-9-azaspiro[4.5]decane-9-carbonyl)hexanoic acid (PubChem CID 132971279) has the molecular formula C17H29NO5 and a molecular weight of 327.42 g/mol. Its IUPAC name is 3,5-dimethyl-3-(7-methyl-2,6-dioxa-9-azaspiro[4.5]decane-9-carbonyl)hexanoic acid.

Molecular Properties

Compound Name3,5-dimethyl-3-(7-methyl-2,6-dioxa-9-azaspiro[4.5]decane-9-carbonyl)hexanoic acid
PubChem CID132971279
Molecular FormulaC17H29NO5
Molecular Weight327.42 g/mol
Exact Mass327.20
IUPAC Name3,5-dimethyl-3-(7-methyl-2,6-dioxa-9-azaspiro[4.5]decane-9-carbonyl)hexanoic acid
SMILESCC(C)CC(C)(CC(=O)O)C(=O)N1CC(C)OC2(CCOC2)C1
InChIInChI=1S/C17H29NO5/c1-12(2)7-16(4,8-14(19)20)15(21)18-9-13(3)23-17(10-18)5-6-22-11-17/h12-13H,5-11H2,1-4H3,(H,19,20)
InChIKeyYUKNGHZERVNVRI-UHFFFAOYSA-N
XLogP1.92
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.42
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-3-(7-methyl-2,6-dioxa-9-azaspiro[4.5]decane-9-carbonyl)hexanoic acid?
The IUPAC name of 3,5-dimethyl-3-(7-methyl-2,6-dioxa-9-azaspiro[4.5]decane-9-carbonyl)hexanoic acid (CID 132971279) is 3,5-dimethyl-3-(7-methyl-2,6-dioxa-9-azaspiro[4.5]decane-9-carbonyl)hexanoic acid.
What is the SMILES notation for 3,5-dimethyl-3-(7-methyl-2,6-dioxa-9-azaspiro[4.5]decane-9-carbonyl)hexanoic acid?
The canonical SMILES for 3,5-dimethyl-3-(7-methyl-2,6-dioxa-9-azaspiro[4.5]decane-9-carbonyl)hexanoic acid is CC(C)CC(C)(CC(=O)O)C(=O)N1CC(C)OC2(CCOC2)C1.
What is the InChIKey of 3,5-dimethyl-3-(7-methyl-2,6-dioxa-9-azaspiro[4.5]decane-9-carbonyl)hexanoic acid?
The InChIKey is YUKNGHZERVNVRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO5/c1-12(2)7-16(4,8-14(19)20)15(21)18-9-13(3)23-17(10-18)5-6-22-11-17/h12-13H,5-11H2,1-4H3,(H,19,20).
What are the key properties of 3,5-dimethyl-3-(7-methyl-2,6-dioxa-9-azaspiro[4.5]decane-9-carbonyl)hexanoic acid?
3,5-dimethyl-3-(7-methyl-2,6-dioxa-9-azaspiro[4.5]decane-9-carbonyl)hexanoic acid has a molecular weight of 327.42 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-3-(7-methyl-2,6-dioxa-9-azaspiro[4.5]decane-9-carbonyl)hexanoic acid is sourced from PubChem (CID 132971279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).