6-(3-azaspiro[5.5]undecan-3-yl)-6-oxohexanoic acid

C16H27NO3 — CID 62936033

IUPAC6-(3-azaspiro[5.5]undecan-3-yl)-6-oxohexanoic acid
SMILESO=C(O)CCCCC(=O)N1CCC2(CCCCC2)CC1
InChIInChI=1S/C16H27NO3/c18-14(6-2-3-7-15(19)20)17-12-10-16(11-13-17)8-4-1-5-9-16/h1-13H2,(H,19,20)
InChIKeyHISBSOUXEPGSLZ-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.20
Rot. Bonds5

About 6-(3-azaspiro[5.5]undecan-3-yl)-6-oxohexanoic acid

6-(3-azaspiro[5.5]undecan-3-yl)-6-oxohexanoic acid (PubChem CID 62936033) has the molecular formula C16H27NO3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 6-(3-azaspiro[5.5]undecan-3-yl)-6-oxohexanoic acid.

Molecular Properties

Compound Name6-(3-azaspiro[5.5]undecan-3-yl)-6-oxohexanoic acid
PubChem CID62936033
Molecular FormulaC16H27NO3
Molecular Weight281.40 g/mol
Exact Mass281.20
IUPAC Name6-(3-azaspiro[5.5]undecan-3-yl)-6-oxohexanoic acid
SMILESO=C(O)CCCCC(=O)N1CCC2(CCCCC2)CC1
InChIInChI=1S/C16H27NO3/c18-14(6-2-3-7-15(19)20)17-12-10-16(11-13-17)8-4-1-5-9-16/h1-13H2,(H,19,20)
InChIKeyHISBSOUXEPGSLZ-UHFFFAOYSA-N
XLogP3.20
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(3-azaspiro[5.5]undecan-3-yl)-5-oxopentanoic acid
CID 62936546
1-(3-azaspiro[5.5]undecan-3-yl)-4-(methylamino)butan-1-one
CID 62930046
3-amino-1-(3-azaspiro[5.5]undecan-3-yl)propan-1-one
CID 62937582
6-[4,4-bis(2-oxopropyl)piperidin-1-yl]-6-oxohexanoic acid
CID 145408296
5-amino-1-(8-azaspiro[4.5]decan-8-yl)hexan-1-one
CID 82852237
6-(8-oxa-2-azaspiro[4.5]decan-2-yl)-6-oxohexanoic acid
CID 114279188
1-(12-oxo-12-piperidin-1-yldodecanoyl)piperidine-4,4-dicarboxylic acid
CID 86346056
1-(8-azaspiro[4.5]decan-8-yl)-3-(propan-2-ylamino)propan-1-one
CID 63163607
1,12-bis(azonan-1-yl)dodecane-1,12-dione
CID 20752244
1-(8-azaspiro[4.6]undecan-8-yl)-2-chloroethanone
CID 167588263
6-(1,4-diazepan-1-yl)-6-oxohexanoic acid
CID 61405469
5-(3,3-difluoropiperidin-1-yl)-5-oxopentanoic acid
CID 116991461

Frequently Asked Questions

What is the IUPAC name of 6-(3-azaspiro[5.5]undecan-3-yl)-6-oxohexanoic acid?
The IUPAC name of 6-(3-azaspiro[5.5]undecan-3-yl)-6-oxohexanoic acid (CID 62936033) is 6-(3-azaspiro[5.5]undecan-3-yl)-6-oxohexanoic acid.
What is the SMILES notation for 6-(3-azaspiro[5.5]undecan-3-yl)-6-oxohexanoic acid?
The canonical SMILES for 6-(3-azaspiro[5.5]undecan-3-yl)-6-oxohexanoic acid is O=C(O)CCCCC(=O)N1CCC2(CCCCC2)CC1.
What is the InChIKey of 6-(3-azaspiro[5.5]undecan-3-yl)-6-oxohexanoic acid?
The InChIKey is HISBSOUXEPGSLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO3/c18-14(6-2-3-7-15(19)20)17-12-10-16(11-13-17)8-4-1-5-9-16/h1-13H2,(H,19,20).
What are the key properties of 6-(3-azaspiro[5.5]undecan-3-yl)-6-oxohexanoic acid?
6-(3-azaspiro[5.5]undecan-3-yl)-6-oxohexanoic acid has a molecular weight of 281.40 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-azaspiro[5.5]undecan-3-yl)-6-oxohexanoic acid is sourced from PubChem (CID 62936033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).