3-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)butanoic acid

C13H19NO4 — CID 61071116

IUPAC3-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)butanoic acid
SMILESCC(CC(=O)O)N1C(=O)CC2(CCCC2)CC1=O
InChIInChI=1S/C13H19NO4/c1-9(6-12(17)18)14-10(15)7-13(8-11(14)16)4-2-3-5-13/h9H,2-8H2,1H3,(H,17,18)
InChIKeyQZIMDODGQJVHMH-UHFFFAOYSA-N
MW253.30 g/mol
LogP1.56
Rot. Bonds3

About 3-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)butanoic acid

3-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)butanoic acid (PubChem CID 61071116) has the molecular formula C13H19NO4 and a molecular weight of 253.30 g/mol. Its IUPAC name is 3-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)butanoic acid.

Molecular Properties

Compound Name3-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)butanoic acid
PubChem CID61071116
Molecular FormulaC13H19NO4
Molecular Weight253.30 g/mol
Exact Mass253.13
IUPAC Name3-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)butanoic acid
SMILESCC(CC(=O)O)N1C(=O)CC2(CCCC2)CC1=O
InChIInChI=1S/C13H19NO4/c1-9(6-12(17)18)14-10(15)7-13(8-11(14)16)4-2-3-5-13/h9H,2-8H2,1H3,(H,17,18)
InChIKeyQZIMDODGQJVHMH-UHFFFAOYSA-N
XLogP1.56
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 51.56
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

7,9-Dioxo-8-azaspiro[4.5]decane-8-butanoic Acid
CID 33695292
(3S)-1-(2-cyclopentylacetyl)-3-ethylpiperidine-3-carboxylic acid
CID 95017407
2-[1-[2-(2-Ethylpiperidin-1-yl)-2-oxoethyl]cyclopentyl]acetic acid
CID 3655382
2-[1-[2-(2,6-Dimethylpiperidin-1-yl)-2-oxoethyl]cyclopentyl]acetic acid
CID 3655383
3-(1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]oct-3-yl)propanoic Acid
CID 4157958
8-Propan-2-yl-8-azaspiro[4.5]decane-7,9-dione
CID 57846475
2-(2,6-Dioxopiperidin-1-yl)cyclopentane-1-carboxylic acid
CID 64815478
3-[(1S,5R)-1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl]propanoic acid
CID 2304973
3-[(1R,5S)-1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl]propanoic acid
CID 2304975
1-[2-[1-[2-(Dimethylamino)-2-oxoethyl]cyclopentyl]acetyl]piperidine-4-carboxylic acid
CID 4501291
3-[(1R,5R)-1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl]propanoic acid
CID 6595773
3-[(1S,5S)-1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl]propanoic acid
CID 18153962

Frequently Asked Questions

What is the IUPAC name of 3-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)butanoic acid?
The IUPAC name of 3-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)butanoic acid (CID 61071116) is 3-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)butanoic acid.
What is the SMILES notation for 3-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)butanoic acid?
The canonical SMILES for 3-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)butanoic acid is CC(CC(=O)O)N1C(=O)CC2(CCCC2)CC1=O.
What is the InChIKey of 3-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)butanoic acid?
The InChIKey is QZIMDODGQJVHMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4/c1-9(6-12(17)18)14-10(15)7-13(8-11(14)16)4-2-3-5-13/h9H,2-8H2,1H3,(H,17,18).
What are the key properties of 3-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)butanoic acid?
3-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)butanoic acid has a molecular weight of 253.30 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)butanoic acid is sourced from PubChem (CID 61071116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).