6-(2,4-dioxo-3-azaspiro[5.5]undecan-3-yl)hexanoic acid

C16H25NO4 — CID 43804742

IUPAC6-(2,4-dioxo-3-azaspiro[5.5]undecan-3-yl)hexanoic acid
SMILESO=C(O)CCCCCN1C(=O)CC2(CCCCC2)CC1=O
InChIInChI=1S/C16H25NO4/c18-13-11-16(8-4-2-5-9-16)12-14(19)17(13)10-6-1-3-7-15(20)21/h1-12H2,(H,20,21)
InChIKeyUKMROOFTSZNJDZ-UHFFFAOYSA-N
MW295.38 g/mol
LogP2.73
Rot. Bonds6

About 6-(2,4-dioxo-3-azaspiro[5.5]undecan-3-yl)hexanoic acid

6-(2,4-dioxo-3-azaspiro[5.5]undecan-3-yl)hexanoic acid (PubChem CID 43804742) has the molecular formula C16H25NO4 and a molecular weight of 295.38 g/mol. Its IUPAC name is 6-(2,4-dioxo-3-azaspiro[5.5]undecan-3-yl)hexanoic acid.

Molecular Properties

Compound Name6-(2,4-dioxo-3-azaspiro[5.5]undecan-3-yl)hexanoic acid
PubChem CID43804742
Molecular FormulaC16H25NO4
Molecular Weight295.38 g/mol
Exact Mass295.18
IUPAC Name6-(2,4-dioxo-3-azaspiro[5.5]undecan-3-yl)hexanoic acid
SMILESO=C(O)CCCCCN1C(=O)CC2(CCCCC2)CC1=O
InChIInChI=1S/C16H25NO4/c18-13-11-16(8-4-2-5-9-16)12-14(19)17(13)10-6-1-3-7-15(20)21/h1-12H2,(H,20,21)
InChIKeyUKMROOFTSZNJDZ-UHFFFAOYSA-N
XLogP2.73
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2,4-dioxo-3-azaspiro[5.5]undecan-3-yl)acetic acid
CID 43804746
3-(4-aminobutyl)-3-azaspiro[5.5]undecane-2,4-dione
CID 62642476
8-(4-aminobutyl)-8-azaspiro[4.5]decane-7,9-dione
CID 11746691
8-(4-methylsulfanylbutyl)-8-azaspiro[4.5]decane-7,9-dione
CID 139959182
6-[3-(carboxymethyl)-3-hydroxy-2,5-dioxopyrrolidin-1-yl]hexanoic acid
CID 171379695
8-[2-[bis(2-hydroxyethyl)amino]ethyl]-8-azaspiro[4.5]decane-7,9-dione
CID 165344828
3-[2-(diethylamino)ethyl]-3-azaspiro[5.5]undecane-2,4-dione
CID 125489551
3-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-azaspiro[5.5]undecane-2,4-dione
CID 115455509
14-[1-(13-carboxytridecyl)cyclohexyl]tetradecanoic acid
CID 54174262
3-ethyl-3-azaspiro[5.5]undecane-2,4-dione
CID 19814204
5-(3-ethyl-3-methyl-2,5-dioxopyrrolidin-1-yl)pentanoic acid
CID 57107781
2-[(2,4-dioxo-3-azaspiro[5.5]undecan-3-yl)methyl]butanoic acid
CID 65222106

Frequently Asked Questions

What is the IUPAC name of 6-(2,4-dioxo-3-azaspiro[5.5]undecan-3-yl)hexanoic acid?
The IUPAC name of 6-(2,4-dioxo-3-azaspiro[5.5]undecan-3-yl)hexanoic acid (CID 43804742) is 6-(2,4-dioxo-3-azaspiro[5.5]undecan-3-yl)hexanoic acid.
What is the SMILES notation for 6-(2,4-dioxo-3-azaspiro[5.5]undecan-3-yl)hexanoic acid?
The canonical SMILES for 6-(2,4-dioxo-3-azaspiro[5.5]undecan-3-yl)hexanoic acid is O=C(O)CCCCCN1C(=O)CC2(CCCCC2)CC1=O.
What is the InChIKey of 6-(2,4-dioxo-3-azaspiro[5.5]undecan-3-yl)hexanoic acid?
The InChIKey is UKMROOFTSZNJDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO4/c18-13-11-16(8-4-2-5-9-16)12-14(19)17(13)10-6-1-3-7-15(20)21/h1-12H2,(H,20,21).
What are the key properties of 6-(2,4-dioxo-3-azaspiro[5.5]undecan-3-yl)hexanoic acid?
6-(2,4-dioxo-3-azaspiro[5.5]undecan-3-yl)hexanoic acid has a molecular weight of 295.38 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-dioxo-3-azaspiro[5.5]undecan-3-yl)hexanoic acid is sourced from PubChem (CID 43804742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).