8-[2-[1-(aminomethyl)cyclobutyl]acetyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione

C14H22N4O3 — CID 81171740

IUPAC8-[2-[1-(aminomethyl)cyclobutyl]acetyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESNCC1(CC(=O)N2CCC3(CC2)NC(=O)NC3=O)CCC1
InChIInChI=1S/C14H22N4O3/c15-9-13(2-1-3-13)8-10(19)18-6-4-14(5-7-18)11(20)16-12(21)17-14/h1-9,15H2,(H2,16,17,20,21)
InChIKeyUGFYAGQVBMGOSL-UHFFFAOYSA-N
MW294.36 g/mol
LogP-0.29
Rot. Bonds3

About 8-[2-[1-(aminomethyl)cyclobutyl]acetyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione

8-[2-[1-(aminomethyl)cyclobutyl]acetyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 81171740) has the molecular formula C14H22N4O3 and a molecular weight of 294.36 g/mol. Its IUPAC name is 8-[2-[1-(aminomethyl)cyclobutyl]acetyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name8-[2-[1-(aminomethyl)cyclobutyl]acetyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID81171740
Molecular FormulaC14H22N4O3
Molecular Weight294.36 g/mol
Exact Mass294.17
IUPAC Name8-[2-[1-(aminomethyl)cyclobutyl]acetyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESNCC1(CC(=O)N2CCC3(CC2)NC(=O)NC3=O)CCC1
InChIInChI=1S/C14H22N4O3/c15-9-13(2-1-3-13)8-10(19)18-6-4-14(5-7-18)11(20)16-12(21)17-14/h1-9,15H2,(H2,16,17,20,21)
InChIKeyUGFYAGQVBMGOSL-UHFFFAOYSA-N
XLogP-0.29
TPSA104.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 5-0.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 8-[2-[1-(aminomethyl)cyclobutyl]acetyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione with MolForge

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Related Compounds

8-(4-aminobutanoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 54873031
8-butanoyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 42109419
2-[1-(aminomethyl)cyclopentyl]-1-pyrrolidin-1-ylethanone
CID 82508182
8-[2-(methylamino)acetyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 54873032
8-[2-(oxolan-2-yl)acetyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 47211168
2-[1-(aminomethyl)cyclobutyl]-1-(4-methylpiperazin-1-yl)ethanone
CID 81167943
2-[1-(aminomethyl)cyclohexyl]-1-(8-azaspiro[4.5]decan-8-yl)ethanone
CID 104678183
8-[2-(2,5-dioxoimidazolidin-4-yl)acetyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 56807611
2-[1-(aminomethyl)cyclohexyl]-1-(1,1-dioxo-1,4-thiazepan-4-yl)ethanone
CID 104844472
8-[2-[(2-methylpropan-2-yl)oxy]acetyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 115949458
7-(2-cyclopentylacetyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 78996213
8-[2-(3-methylazetidin-3-yl)oxyacetyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 102655908

Frequently Asked Questions

What is the IUPAC name of 8-[2-[1-(aminomethyl)cyclobutyl]acetyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 8-[2-[1-(aminomethyl)cyclobutyl]acetyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 81171740) is 8-[2-[1-(aminomethyl)cyclobutyl]acetyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 8-[2-[1-(aminomethyl)cyclobutyl]acetyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 8-[2-[1-(aminomethyl)cyclobutyl]acetyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione is NCC1(CC(=O)N2CCC3(CC2)NC(=O)NC3=O)CCC1.
What is the InChIKey of 8-[2-[1-(aminomethyl)cyclobutyl]acetyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is UGFYAGQVBMGOSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3/c15-9-13(2-1-3-13)8-10(19)18-6-4-14(5-7-18)11(20)16-12(21)17-14/h1-9,15H2,(H2,16,17,20,21).
What are the key properties of 8-[2-[1-(aminomethyl)cyclobutyl]acetyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?
8-[2-[1-(aminomethyl)cyclobutyl]acetyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 294.36 g/mol, XLogP of -0.29, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-[1-(aminomethyl)cyclobutyl]acetyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 81171740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).