4-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)butanoic acid

C11H17N3O4 — CID 82148969

IUPAC4-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)butanoic acid
SMILESO=C(O)CCCN1C(=O)NC2(CCNCC2)C1=O
InChIInChI=1S/C11H17N3O4/c15-8(16)2-1-7-14-9(17)11(13-10(14)18)3-5-12-6-4-11/h12H,1-7H2,(H,13,18)(H,15,16)
InChIKeyJBKRLKMVOMRYBH-UHFFFAOYSA-N
MW255.27 g/mol
LogP-0.47
Rot. Bonds4

About 4-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)butanoic acid

4-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)butanoic acid (PubChem CID 82148969) has the molecular formula C11H17N3O4 and a molecular weight of 255.27 g/mol. Its IUPAC name is 4-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)butanoic acid.

Molecular Properties

Compound Name4-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)butanoic acid
PubChem CID82148969
Molecular FormulaC11H17N3O4
Molecular Weight255.27 g/mol
Exact Mass255.12
IUPAC Name4-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)butanoic acid
SMILESO=C(O)CCCN1C(=O)NC2(CCNCC2)C1=O
InChIInChI=1S/C11H17N3O4/c15-8(16)2-1-7-14-9(17)11(13-10(14)18)3-5-12-6-4-11/h12H,1-7H2,(H,13,18)(H,15,16)
InChIKeyJBKRLKMVOMRYBH-UHFFFAOYSA-N
XLogP-0.47
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 5-0.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(4-hydroxybutyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 62849673
5-[8-(3-hydroxypropyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]pentanoic acid
CID 82149052
4-[8-(3-methylbutyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]butanoic acid
CID 82148990
4-[8-[2-(methylamino)-2-oxoethyl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]butanoic acid
CID 82148992
5-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)pentanoic acid
CID 28971868
3-(3-methylbutyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 62849667
3-(2-methoxyethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 62849845
3-(4-oxopentyl)-1,3-diazaspiro[4.7]dodecane-2,4-dione
CID 62019381
3-[8-(3-hydroxypropyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]propanoic acid
CID 82148098
3-(4-phenylbutyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 114334567
3-(3-hydroxypropyl)-1,3-diazaspiro[4.7]dodecane-2,4-dione
CID 43509729
8-methyl-3-(4-oxopentyl)-1,3-diazaspiro[4.5]decane-2,4-dione
CID 62025169

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)butanoic acid?
The IUPAC name of 4-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)butanoic acid (CID 82148969) is 4-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)butanoic acid.
What is the SMILES notation for 4-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)butanoic acid?
The canonical SMILES for 4-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)butanoic acid is O=C(O)CCCN1C(=O)NC2(CCNCC2)C1=O.
What is the InChIKey of 4-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)butanoic acid?
The InChIKey is JBKRLKMVOMRYBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O4/c15-8(16)2-1-7-14-9(17)11(13-10(14)18)3-5-12-6-4-11/h12H,1-7H2,(H,13,18)(H,15,16).
What are the key properties of 4-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)butanoic acid?
4-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)butanoic acid has a molecular weight of 255.27 g/mol, XLogP of -0.47, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)butanoic acid is sourced from PubChem (CID 82148969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).