6-(8-oxa-2-azaspiro[4.5]decan-2-yl)-6-oxohexanoic acid

C14H23NO4 — CID 114279188

IUPAC6-(8-oxa-2-azaspiro[4.5]decan-2-yl)-6-oxohexanoic acid
SMILESO=C(O)CCCCC(=O)N1CCC2(CCOCC2)C1
InChIInChI=1S/C14H23NO4/c16-12(3-1-2-4-13(17)18)15-8-5-14(11-15)6-9-19-10-7-14/h1-11H2,(H,17,18)
InChIKeyKLLOLWGFLJVLIX-UHFFFAOYSA-N
MW269.34 g/mol
LogP1.66
Rot. Bonds5

About 6-(8-oxa-2-azaspiro[4.5]decan-2-yl)-6-oxohexanoic acid

6-(8-oxa-2-azaspiro[4.5]decan-2-yl)-6-oxohexanoic acid (PubChem CID 114279188) has the molecular formula C14H23NO4 and a molecular weight of 269.34 g/mol. Its IUPAC name is 6-(8-oxa-2-azaspiro[4.5]decan-2-yl)-6-oxohexanoic acid.

Molecular Properties

Compound Name6-(8-oxa-2-azaspiro[4.5]decan-2-yl)-6-oxohexanoic acid
PubChem CID114279188
Molecular FormulaC14H23NO4
Molecular Weight269.34 g/mol
Exact Mass269.16
IUPAC Name6-(8-oxa-2-azaspiro[4.5]decan-2-yl)-6-oxohexanoic acid
SMILESO=C(O)CCCCC(=O)N1CCC2(CCOCC2)C1
InChIInChI=1S/C14H23NO4/c16-12(3-1-2-4-13(17)18)15-8-5-14(11-15)6-9-19-10-7-14/h1-11H2,(H,17,18)
InChIKeyKLLOLWGFLJVLIX-UHFFFAOYSA-N
XLogP1.66
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-(3-azaspiro[5.5]undecan-3-yl)-6-oxohexanoic acid
CID 62936033
6-(7-oxa-2-azaspiro[3.5]nonan-2-yl)hexanoic acid
CID 79686303
5-(3-azaspiro[5.5]undecan-3-yl)-5-oxopentanoic acid
CID 62936546
5-(3,3-difluoropiperidin-1-yl)-5-oxopentanoic acid
CID 116991461
4-(dipropylamino)-1-(3-oxa-9-azaspiro[5.5]undecan-9-yl)butan-1-one
CID 126804088
4-amino-1-(2-oxa-7-azaspiro[4.4]nonan-7-yl)pentan-1-one
CID 120563784
4-[(3S)-3-hydroxy-3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-4-oxobutanoic acid
CID 124977540
6-[4,4-bis(2-oxopropyl)piperidin-1-yl]-6-oxohexanoic acid
CID 145408296
3-methylsulfonyl-1-(3-oxa-9-azaspiro[5.5]undecan-9-yl)propan-1-one
CID 131900495
1-(3-oxa-9-azaspiro[5.5]undecan-9-yl)-4-(triazol-1-yl)butan-1-one
CID 126797642
3-amino-4-(8-oxa-2-azaspiro[4.5]decan-2-yl)-4-oxobutanamide
CID 113288679
3-amino-1-(2-azaspiro[4.5]decan-2-yl)propan-1-one
CID 83628810

Frequently Asked Questions

What is the IUPAC name of 6-(8-oxa-2-azaspiro[4.5]decan-2-yl)-6-oxohexanoic acid?
The IUPAC name of 6-(8-oxa-2-azaspiro[4.5]decan-2-yl)-6-oxohexanoic acid (CID 114279188) is 6-(8-oxa-2-azaspiro[4.5]decan-2-yl)-6-oxohexanoic acid.
What is the SMILES notation for 6-(8-oxa-2-azaspiro[4.5]decan-2-yl)-6-oxohexanoic acid?
The canonical SMILES for 6-(8-oxa-2-azaspiro[4.5]decan-2-yl)-6-oxohexanoic acid is O=C(O)CCCCC(=O)N1CCC2(CCOCC2)C1.
What is the InChIKey of 6-(8-oxa-2-azaspiro[4.5]decan-2-yl)-6-oxohexanoic acid?
The InChIKey is KLLOLWGFLJVLIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO4/c16-12(3-1-2-4-13(17)18)15-8-5-14(11-15)6-9-19-10-7-14/h1-11H2,(H,17,18).
What are the key properties of 6-(8-oxa-2-azaspiro[4.5]decan-2-yl)-6-oxohexanoic acid?
6-(8-oxa-2-azaspiro[4.5]decan-2-yl)-6-oxohexanoic acid has a molecular weight of 269.34 g/mol, XLogP of 1.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(8-oxa-2-azaspiro[4.5]decan-2-yl)-6-oxohexanoic acid is sourced from PubChem (CID 114279188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).