2-[(2,4-dioxo-3-azaspiro[5.5]undecan-3-yl)methyl]butanoic acid

C15H23NO4 — CID 65222106

IUPAC2-[(2,4-dioxo-3-azaspiro[5.5]undecan-3-yl)methyl]butanoic acid
SMILESCCC(CN1C(=O)CC2(CCCCC2)CC1=O)C(=O)O
InChIInChI=1S/C15H23NO4/c1-2-11(14(19)20)10-16-12(17)8-15(9-13(16)18)6-4-3-5-7-15/h11H,2-10H2,1H3,(H,19,20)
InChIKeyZADHAIXUIXDLPK-UHFFFAOYSA-N
MW281.35 g/mol
LogP2.20
Rot. Bonds4

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

2-[(2,4-dioxo-3-azaspiro[5.5]undecan-3-yl)methyl]butanoic acid (PubChem CID 65222106) has the molecular formula C15H23NO4 and a molecular weight of 281.35 g/mol. Its IUPAC name is 2-[(2,4-dioxo-3-azaspiro[5.5]undecan-3-yl)methyl]butanoic acid.

Molecular Properties

Compound Name2-[(2,4-dioxo-3-azaspiro[5.5]undecan-3-yl)methyl]butanoic acid
PubChem CID65222106
Molecular FormulaC15H23NO4
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC Name2-[(2,4-dioxo-3-azaspiro[5.5]undecan-3-yl)methyl]butanoic acid
SMILESCCC(CN1C(=O)CC2(CCCCC2)CC1=O)C(=O)O
InChIInChI=1S/C15H23NO4/c1-2-11(14(19)20)10-16-12(17)8-15(9-13(16)18)6-4-3-5-7-15/h11H,2-10H2,1H3,(H,19,20)
InChIKeyZADHAIXUIXDLPK-UHFFFAOYSA-N
XLogP2.20
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[(2,4-dioxo-3-azaspiro[5.5]undecan-3-yl)methyl]butanoic acid with MolForge

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Related Compounds

Sdccgsbi-0662776.P001
CID 63123213
1-(4,4-Difluoro-1-methylcyclohexanecarbonyl)piperidine-3-carboxylic acid
CID 136556178
(3R)-1-(3-cyclohexylpropanoyl)piperidine-3-carboxylic acid
CID 44173558
1-Acetyl-5-(cyclohexylmethyl)piperidine-3-carboxylic acid
CID 66844752
1-Butanoyl-5-(cyclohexylmethyl)piperidine-3-carboxylic acid
CID 69260899
1-(4-Butylcyclohexanecarbonyl)piperidine-3-carboxylic acid
CID 20112605
1-(3-Cyclohexylpropanoyl)piperidine-3-carboxylic acid
CID 20115324
(3R)-1-(4-butylcyclohexanecarbonyl)piperidine-3-carboxylic acid
CID 28114264
(3S)-1-(4-butylcyclohexanecarbonyl)piperidine-3-carboxylic acid
CID 28114266
3-(7,9-Dioxo-8-azaspiro[4.5]decan-8-yl)propanoic acid
CID 33695287
1-(2-Cyclohexylacetyl)piperidine-3-carboxylic acid
CID 43183416
2-[1-[2-(3,5-Dimethylpiperidin-1-yl)-2-oxoethyl]cyclohexyl]acetic acid
CID 43235005

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dioxo-3-azaspiro[5.5]undecan-3-yl)methyl]butanoic acid?
The IUPAC name of 2-[(2,4-dioxo-3-azaspiro[5.5]undecan-3-yl)methyl]butanoic acid (CID 65222106) is 2-[(2,4-dioxo-3-azaspiro[5.5]undecan-3-yl)methyl]butanoic acid.
What is the SMILES notation for 2-[(2,4-dioxo-3-azaspiro[5.5]undecan-3-yl)methyl]butanoic acid?
The canonical SMILES for 2-[(2,4-dioxo-3-azaspiro[5.5]undecan-3-yl)methyl]butanoic acid is CCC(CN1C(=O)CC2(CCCCC2)CC1=O)C(=O)O.
What is the InChIKey of 2-[(2,4-dioxo-3-azaspiro[5.5]undecan-3-yl)methyl]butanoic acid?
The InChIKey is ZADHAIXUIXDLPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4/c1-2-11(14(19)20)10-16-12(17)8-15(9-13(16)18)6-4-3-5-7-15/h11H,2-10H2,1H3,(H,19,20).
What are the key properties of 2-[(2,4-dioxo-3-azaspiro[5.5]undecan-3-yl)methyl]butanoic acid?
2-[(2,4-dioxo-3-azaspiro[5.5]undecan-3-yl)methyl]butanoic acid has a molecular weight of 281.35 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dioxo-3-azaspiro[5.5]undecan-3-yl)methyl]butanoic acid is sourced from PubChem (CID 65222106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).