methyl 5-[(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)methyl]-2-methylfuran-3-carboxylate

C17H22N2O5 — CID 9401563

IUPACmethyl 5-[(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)methyl]-2-methylfuran-3-carboxylate
SMILESCOC(=O)c1cc(CN2C(=O)NC3(CCCCCC3)C2=O)oc1C
InChIInChI=1S/C17H22N2O5/c1-11-13(14(20)23-2)9-12(24-11)10-19-15(21)17(18-16(19)22)7-5-3-4-6-8-17/h9H,3-8,10H2,1-2H3,(H,18,22)
InChIKeyRFIDRLSTGPRZIX-UHFFFAOYSA-N
MW334.37 g/mol
LogP2.52
Rot. Bonds3

About methyl 5-[(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)methyl]-2-methylfuran-3-carboxylate

methyl 5-[(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)methyl]-2-methylfuran-3-carboxylate (PubChem CID 9401563) has the molecular formula C17H22N2O5 and a molecular weight of 334.37 g/mol. Its IUPAC name is methyl 5-[(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)methyl]-2-methylfuran-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-[(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)methyl]-2-methylfuran-3-carboxylate
PubChem CID9401563
Molecular FormulaC17H22N2O5
Molecular Weight334.37 g/mol
Exact Mass334.15
IUPAC Namemethyl 5-[(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)methyl]-2-methylfuran-3-carboxylate
SMILESCOC(=O)c1cc(CN2C(=O)NC3(CCCCCC3)C2=O)oc1C
InChIInChI=1S/C17H22N2O5/c1-11-13(14(20)23-2)9-12(24-11)10-19-15(21)17(18-16(19)22)7-5-3-4-6-8-17/h9H,3-8,10H2,1-2H3,(H,18,22)
InChIKeyRFIDRLSTGPRZIX-UHFFFAOYSA-N
XLogP2.52
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze methyl 5-[(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)methyl]-2-methylfuran-3-carboxylate with MolForge

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Related Compounds

5-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl]-2-methylfuran-3-carboxylic acid
CID 22108050
methyl 2-methyl-5-[[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]methyl]furan-3-carboxylate
CID 40748417
methyl 5-[[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]methyl]-2-methylfuran-3-carboxylate
CID 78726868
methyl 5-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]-3-methylfuran-2-carboxylate
CID 38828344
methyl 5-[[(4-methoxycarbonyl-5-methylfuran-2-yl)methylcarbamoylamino]methyl]-2-methylfuran-3-carboxylate
CID 51116970
methyl 5-[[[1-(hydroxymethyl)cyclopentyl]methylamino]methyl]-2-methylfuran-3-carboxylate
CID 115358697
methyl 2-methyl-5-[[(3-methylpyrrolidin-3-yl)amino]methyl]furan-3-carboxylate
CID 107424626
methyl 5-[[(5R)-2,4-dioxo-7-thia-1,3-diazaspiro[4.4]nonan-3-yl]methyl]furan-2-carboxylate
CID 30512391
methyl 5-[[(5S)-2,4-dioxo-7-thia-1,3-diazaspiro[4.4]nonan-3-yl]methyl]furan-2-carboxylate
CID 30512388
3-[(3-methyl-1,2-oxazol-5-yl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 17490213
methyl 2-methyl-5-[(4-methylsulfonyl-1,4-diazepan-1-yl)methyl]furan-3-carboxylate
CID 78845691
methyl 2-methyl-5-[(3-methylpiperidin-1-yl)methyl]furan-3-carboxylate
CID 78791073

Frequently Asked Questions

What is the IUPAC name of methyl 5-[(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)methyl]-2-methylfuran-3-carboxylate?
The IUPAC name of methyl 5-[(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)methyl]-2-methylfuran-3-carboxylate (CID 9401563) is methyl 5-[(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)methyl]-2-methylfuran-3-carboxylate.
What is the SMILES notation for methyl 5-[(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)methyl]-2-methylfuran-3-carboxylate?
The canonical SMILES for methyl 5-[(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)methyl]-2-methylfuran-3-carboxylate is COC(=O)c1cc(CN2C(=O)NC3(CCCCCC3)C2=O)oc1C.
What is the InChIKey of methyl 5-[(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)methyl]-2-methylfuran-3-carboxylate?
The InChIKey is RFIDRLSTGPRZIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O5/c1-11-13(14(20)23-2)9-12(24-11)10-19-15(21)17(18-16(19)22)7-5-3-4-6-8-17/h9H,3-8,10H2,1-2H3,(H,18,22).
What are the key properties of methyl 5-[(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)methyl]-2-methylfuran-3-carboxylate?
methyl 5-[(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)methyl]-2-methylfuran-3-carboxylate has a molecular weight of 334.37 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)methyl]-2-methylfuran-3-carboxylate is sourced from PubChem (CID 9401563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).