[2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 1-methylpyrazole-4-carboxylate

C15H19N5O5 — CID 16575783

IUPAC[2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 1-methylpyrazole-4-carboxylate
SMILESCn1cc(C(=O)OCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)cn1
InChIInChI=1S/C15H19N5O5/c1-19-8-10(7-16-19)12(22)25-9-11(21)18-20-13(23)15(17-14(20)24)5-3-2-4-6-15/h7-8H,2-6,9H2,1H3,(H,17,24)(H,18,21)
InChIKeyMNAZXDWAISPQPS-UHFFFAOYSA-N
MW349.35 g/mol
LogP-0.14
Rot. Bonds4

About [2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 1-methylpyrazole-4-carboxylate

[2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 1-methylpyrazole-4-carboxylate (PubChem CID 16575783) has the molecular formula C15H19N5O5 and a molecular weight of 349.35 g/mol. Its IUPAC name is [2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 1-methylpyrazole-4-carboxylate.

Molecular Properties

Compound Name[2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 1-methylpyrazole-4-carboxylate
PubChem CID16575783
Molecular FormulaC15H19N5O5
Molecular Weight349.35 g/mol
Exact Mass349.14
IUPAC Name[2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 1-methylpyrazole-4-carboxylate
SMILESCn1cc(C(=O)OCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)cn1
InChIInChI=1S/C15H19N5O5/c1-19-8-10(7-16-19)12(22)25-9-11(21)18-20-13(23)15(17-14(20)24)5-3-2-4-6-15/h7-8H,2-6,9H2,1H3,(H,17,24)(H,18,21)
InChIKeyMNAZXDWAISPQPS-UHFFFAOYSA-N
XLogP-0.14
TPSA122.63 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.35
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-O-[2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 1-O-methyl benzene-1,4-dicarboxylate
CID 7239618
[2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] benzoate
CID 7874358
[2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 5-bromopyridine-3-carboxylate
CID 16522998
[2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 4-cyanobenzoate
CID 7717000
[2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 2-methoxybenzoate
CID 7891326
[2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] (E)-but-2-enoate
CID 7698948
[2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 2-fluorobenzoate
CID 7873242
[2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 2-methylsulfanylbenzoate
CID 8526467
[2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 3-(diethylsulfamoyl)benzoate
CID 16521313
[2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 3-(4-chlorophenyl)-1H-pyrazole-5-carboxylate
CID 16604461
[2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 1,3-dioxo-2-prop-2-enylisoindole-5-carboxylate
CID 16510701
[2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
CID 16505285

Frequently Asked Questions

What is the IUPAC name of [2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 1-methylpyrazole-4-carboxylate?
The IUPAC name of [2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 1-methylpyrazole-4-carboxylate (CID 16575783) is [2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 1-methylpyrazole-4-carboxylate.
What is the SMILES notation for [2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 1-methylpyrazole-4-carboxylate?
The canonical SMILES for [2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 1-methylpyrazole-4-carboxylate is Cn1cc(C(=O)OCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)cn1.
What is the InChIKey of [2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 1-methylpyrazole-4-carboxylate?
The InChIKey is MNAZXDWAISPQPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O5/c1-19-8-10(7-16-19)12(22)25-9-11(21)18-20-13(23)15(17-14(20)24)5-3-2-4-6-15/h7-8H,2-6,9H2,1H3,(H,17,24)(H,18,21).
What are the key properties of [2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 1-methylpyrazole-4-carboxylate?
[2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 1-methylpyrazole-4-carboxylate has a molecular weight of 349.35 g/mol, XLogP of -0.14, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 1-methylpyrazole-4-carboxylate is sourced from PubChem (CID 16575783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).