6-[3-(oxan-4-yloxy)propanoyl]-6-azaspiro[2.5]octane-2-carboxylic acid

C16H25NO5 — CID 120514759

IUPAC6-[3-(oxan-4-yloxy)propanoyl]-6-azaspiro[2.5]octane-2-carboxylic acid
SMILESO=C(O)C1CC12CCN(C(=O)CCOC1CCOCC1)CC2
InChIInChI=1S/C16H25NO5/c18-14(3-10-22-12-1-8-21-9-2-12)17-6-4-16(5-7-17)11-13(16)15(19)20/h12-13H,1-11H2,(H,19,20)
InChIKeyXHHNKVJWVPIHKK-UHFFFAOYSA-N
MW311.38 g/mol
LogP1.29
Rot. Bonds5

About 6-[3-(oxan-4-yloxy)propanoyl]-6-azaspiro[2.5]octane-2-carboxylic acid

6-[3-(oxan-4-yloxy)propanoyl]-6-azaspiro[2.5]octane-2-carboxylic acid (PubChem CID 120514759) has the molecular formula C16H25NO5 and a molecular weight of 311.38 g/mol. Its IUPAC name is 6-[3-(oxan-4-yloxy)propanoyl]-6-azaspiro[2.5]octane-2-carboxylic acid.

Molecular Properties

Compound Name6-[3-(oxan-4-yloxy)propanoyl]-6-azaspiro[2.5]octane-2-carboxylic acid
PubChem CID120514759
Molecular FormulaC16H25NO5
Molecular Weight311.38 g/mol
Exact Mass311.17
IUPAC Name6-[3-(oxan-4-yloxy)propanoyl]-6-azaspiro[2.5]octane-2-carboxylic acid
SMILESO=C(O)C1CC12CCN(C(=O)CCOC1CCOCC1)CC2
InChIInChI=1S/C16H25NO5/c18-14(3-10-22-12-1-8-21-9-2-12)17-6-4-16(5-7-17)11-13(16)15(19)20/h12-13H,1-11H2,(H,19,20)
InChIKeyXHHNKVJWVPIHKK-UHFFFAOYSA-N
XLogP1.29
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-6-propanoyl-6-azaspiro[2.5]octane-2-carboxylic acid
CID 174002395
1-(4-amino-3,3-dimethylpiperidin-1-yl)-3-(oxan-4-yloxy)propan-1-one
CID 120817284
(3aS,6aR)-2-[3-(oxan-4-yloxy)propanoyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 120682088
1-(3,5-dimethylpiperazin-1-yl)-3-(oxan-4-yloxy)propan-1-one;hydrochloride
CID 119564455
1-[4-(cyclopropanecarbonyl)-2,2-dimethylpiperazin-1-yl]-3-(oxan-4-yloxy)propan-1-one
CID 132971515
6-(cyclopropanecarbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119174410
6-(spiro[2.4]heptane-2-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119175025
6-[3-(4-methoxyphenyl)sulfanylpropanoyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119174750
6-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119174670
6-[6-(cyclohexylcarbamoylamino)hexanoyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119175345
6-[4-(4-methylsulfonylphenoxy)butanoyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119174479
6-[3-(4-ethoxyphenyl)propanoyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119174466

Frequently Asked Questions

What is the IUPAC name of 6-[3-(oxan-4-yloxy)propanoyl]-6-azaspiro[2.5]octane-2-carboxylic acid?
The IUPAC name of 6-[3-(oxan-4-yloxy)propanoyl]-6-azaspiro[2.5]octane-2-carboxylic acid (CID 120514759) is 6-[3-(oxan-4-yloxy)propanoyl]-6-azaspiro[2.5]octane-2-carboxylic acid.
What is the SMILES notation for 6-[3-(oxan-4-yloxy)propanoyl]-6-azaspiro[2.5]octane-2-carboxylic acid?
The canonical SMILES for 6-[3-(oxan-4-yloxy)propanoyl]-6-azaspiro[2.5]octane-2-carboxylic acid is O=C(O)C1CC12CCN(C(=O)CCOC1CCOCC1)CC2.
What is the InChIKey of 6-[3-(oxan-4-yloxy)propanoyl]-6-azaspiro[2.5]octane-2-carboxylic acid?
The InChIKey is XHHNKVJWVPIHKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO5/c18-14(3-10-22-12-1-8-21-9-2-12)17-6-4-16(5-7-17)11-13(16)15(19)20/h12-13H,1-11H2,(H,19,20).
What are the key properties of 6-[3-(oxan-4-yloxy)propanoyl]-6-azaspiro[2.5]octane-2-carboxylic acid?
6-[3-(oxan-4-yloxy)propanoyl]-6-azaspiro[2.5]octane-2-carboxylic acid has a molecular weight of 311.38 g/mol, XLogP of 1.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(oxan-4-yloxy)propanoyl]-6-azaspiro[2.5]octane-2-carboxylic acid is sourced from PubChem (CID 120514759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).