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

C14H23N3O4 — CID 82098515

IUPAC3-methylbutyl 2-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)acetate
SMILESCC(C)CCOC(=O)CN1C(=O)NC2(CCNCC2)C1=O
InChIInChI=1S/C14H23N3O4/c1-10(2)3-8-21-11(18)9-17-12(19)14(16-13(17)20)4-6-15-7-5-14/h10,15H,3-9H2,1-2H3,(H,16,20)
InChIKeyOYRZGIXIZOGCDW-UHFFFAOYSA-N
MW297.36 g/mol
LogP0.25
Rot. Bonds5

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

3-methylbutyl 2-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)acetate (PubChem CID 82098515) has the molecular formula C14H23N3O4 and a molecular weight of 297.36 g/mol. Its IUPAC name is 3-methylbutyl 2-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)acetate.

Molecular Properties

Compound Name3-methylbutyl 2-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)acetate
PubChem CID82098515
Molecular FormulaC14H23N3O4
Molecular Weight297.36 g/mol
Exact Mass297.17
IUPAC Name3-methylbutyl 2-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)acetate
SMILESCC(C)CCOC(=O)CN1C(=O)NC2(CCNCC2)C1=O
InChIInChI=1S/C14H23N3O4/c1-10(2)3-8-21-11(18)9-17-12(19)14(16-13(17)20)4-6-15-7-5-14/h10,15H,3-9H2,1-2H3,(H,16,20)
InChIKeyOYRZGIXIZOGCDW-UHFFFAOYSA-N
XLogP0.25
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-methylbutyl 2-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3-methylbutyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 62849667
[2-(3-methylbutylamino)-2-oxoethyl] 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate
CID 7821661
methyl (2S)-3-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)-2-methylpropanoate
CID 59093855
[2-(2-methylpropylamino)-2-oxoethyl] 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate
CID 7821686
[2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate
CID 7821692
3-(2-methoxyethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 62849845
2-[8-(3-methylbutyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]acetic acid
CID 82148052
methyl (2R)-2-[[2-[2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetyl]oxyacetyl]amino]-4-methylpentanoate
CID 8653906
2-(2,4-dioxo-1,3,7-triazaspiro[4.4]nonan-3-yl)acetamide
CID 78989549
2-(2-methylphenoxy)ethyl 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate
CID 7821452
3-(4-fluorophenoxy)propyl 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate
CID 7821334
2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N,N-bis(2-methylpropyl)acetamide
CID 2583608

Frequently Asked Questions

What is the IUPAC name of 3-methylbutyl 2-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)acetate?
The IUPAC name of 3-methylbutyl 2-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)acetate (CID 82098515) is 3-methylbutyl 2-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)acetate.
What is the SMILES notation for 3-methylbutyl 2-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)acetate?
The canonical SMILES for 3-methylbutyl 2-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)acetate is CC(C)CCOC(=O)CN1C(=O)NC2(CCNCC2)C1=O.
What is the InChIKey of 3-methylbutyl 2-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)acetate?
The InChIKey is OYRZGIXIZOGCDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O4/c1-10(2)3-8-21-11(18)9-17-12(19)14(16-13(17)20)4-6-15-7-5-14/h10,15H,3-9H2,1-2H3,(H,16,20).
What are the key properties of 3-methylbutyl 2-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)acetate?
3-methylbutyl 2-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)acetate has a molecular weight of 297.36 g/mol, XLogP of 0.25, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylbutyl 2-(2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)acetate is sourced from PubChem (CID 82098515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).