2-(1,3-dioxo-2-azaspiro[4.6]undecan-2-yl)hexanoic acid

C16H25NO4 — CID 43470102

IUPAC2-(1,3-dioxo-2-azaspiro[4.6]undecan-2-yl)hexanoic acid
SMILESCCCCC(C(=O)O)N1C(=O)CC2(CCCCCC2)C1=O
InChIInChI=1S/C16H25NO4/c1-2-3-8-12(14(19)20)17-13(18)11-16(15(17)21)9-6-4-5-7-10-16/h12H,2-11H2,1H3,(H,19,20)
InChIKeyDMPVVPVWYIIUDJ-UHFFFAOYSA-N
MW295.38 g/mol
LogP2.73
Rot. Bonds5

About 2-(1,3-dioxo-2-azaspiro[4.6]undecan-2-yl)hexanoic acid

2-(1,3-dioxo-2-azaspiro[4.6]undecan-2-yl)hexanoic acid (PubChem CID 43470102) has the molecular formula C16H25NO4 and a molecular weight of 295.38 g/mol. Its IUPAC name is 2-(1,3-dioxo-2-azaspiro[4.6]undecan-2-yl)hexanoic acid.

Molecular Properties

Compound Name2-(1,3-dioxo-2-azaspiro[4.6]undecan-2-yl)hexanoic acid
PubChem CID43470102
Molecular FormulaC16H25NO4
Molecular Weight295.38 g/mol
Exact Mass295.18
IUPAC Name2-(1,3-dioxo-2-azaspiro[4.6]undecan-2-yl)hexanoic acid
SMILESCCCCC(C(=O)O)N1C(=O)CC2(CCCCCC2)C1=O
InChIInChI=1S/C16H25NO4/c1-2-3-8-12(14(19)20)17-13(18)11-16(15(17)21)9-6-4-5-7-10-16/h12H,2-11H2,1H3,(H,19,20)
InChIKeyDMPVVPVWYIIUDJ-UHFFFAOYSA-N
XLogP2.73
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)-3-phenylpropanoic acid
CID 54773487
2-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)pentanoic acid
CID 61071302
2-(3,5-dioxothiomorpholin-4-yl)hexanoic acid
CID 104570388
2-(4-aminobutan-2-yl)-2-azaspiro[4.6]undecane-1,3-dione
CID 62092760
2-[(2R)-1-hydroxypropan-2-yl]-2-azaspiro[4.6]undecane-1,3-dione
CID 79028131
2-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)pentanoic acid
CID 62931902
2-(1-hydroxy-3-methylbutan-2-yl)-2-azaspiro[4.6]undecane-1,3-dione
CID 79244706
2-[(1,3-dioxo-2-azaspiro[4.5]decan-2-yl)methyl]butanoic acid
CID 65221711
2-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)hexanoic acid
CID 19591320
(2S)-2-(1,3-dioxo-2-azaspiro[4.5]decan-2-yl)-3-(1H-indol-3-yl)propanoic acid
CID 129369187
2-(1,3-dioxo-2-azaspiro[4.6]undecan-2-yl)butanenitrile
CID 61122730
2-(3-methyl-2,5-dioxopyrrolidin-1-yl)hexanoic acid
CID 61036684

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxo-2-azaspiro[4.6]undecan-2-yl)hexanoic acid?
The IUPAC name of 2-(1,3-dioxo-2-azaspiro[4.6]undecan-2-yl)hexanoic acid (CID 43470102) is 2-(1,3-dioxo-2-azaspiro[4.6]undecan-2-yl)hexanoic acid.
What is the SMILES notation for 2-(1,3-dioxo-2-azaspiro[4.6]undecan-2-yl)hexanoic acid?
The canonical SMILES for 2-(1,3-dioxo-2-azaspiro[4.6]undecan-2-yl)hexanoic acid is CCCCC(C(=O)O)N1C(=O)CC2(CCCCCC2)C1=O.
What is the InChIKey of 2-(1,3-dioxo-2-azaspiro[4.6]undecan-2-yl)hexanoic acid?
The InChIKey is DMPVVPVWYIIUDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO4/c1-2-3-8-12(14(19)20)17-13(18)11-16(15(17)21)9-6-4-5-7-10-16/h12H,2-11H2,1H3,(H,19,20).
What are the key properties of 2-(1,3-dioxo-2-azaspiro[4.6]undecan-2-yl)hexanoic acid?
2-(1,3-dioxo-2-azaspiro[4.6]undecan-2-yl)hexanoic acid has a molecular weight of 295.38 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxo-2-azaspiro[4.6]undecan-2-yl)hexanoic acid is sourced from PubChem (CID 43470102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).