5-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl]-2-methylfuran-3-carboxylic acid

C15H18N2O5 — CID 22108050

IUPAC5-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl]-2-methylfuran-3-carboxylic acid
SMILESCc1oc(CN2C(=O)NC3(CCCCC3)C2=O)cc1C(=O)O
InChIInChI=1S/C15H18N2O5/c1-9-11(12(18)19)7-10(22-9)8-17-13(20)15(16-14(17)21)5-3-2-4-6-15/h7H,2-6,8H2,1H3,(H,16,21)(H,18,19)
InChIKeyRHZPPHOYRCVVEB-UHFFFAOYSA-N
MW306.32 g/mol
LogP2.04
Rot. Bonds3

About 5-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl]-2-methylfuran-3-carboxylic acid

5-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl]-2-methylfuran-3-carboxylic acid (PubChem CID 22108050) has the molecular formula C15H18N2O5 and a molecular weight of 306.32 g/mol. Its IUPAC name is 5-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl]-2-methylfuran-3-carboxylic acid.

Molecular Properties

Compound Name5-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl]-2-methylfuran-3-carboxylic acid
PubChem CID22108050
Molecular FormulaC15H18N2O5
Molecular Weight306.32 g/mol
Exact Mass306.12
IUPAC Name5-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl]-2-methylfuran-3-carboxylic acid
SMILESCc1oc(CN2C(=O)NC3(CCCCC3)C2=O)cc1C(=O)O
InChIInChI=1S/C15H18N2O5/c1-9-11(12(18)19)7-10(22-9)8-17-13(20)15(16-14(17)21)5-3-2-4-6-15/h7H,2-6,8H2,1H3,(H,16,21)(H,18,19)
InChIKeyRHZPPHOYRCVVEB-UHFFFAOYSA-N
XLogP2.04
TPSA99.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 5-[(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)methyl]-2-methylfuran-3-carboxylate
CID 9401563
5-[(2,6-dioxopiperidin-1-yl)methyl]-2-methylfuran-3-carboxylic acid
CID 43477336
5-[(2,5-dioxopyrrol-1-yl)methyl]-2-methylfuran-3-carboxylic acid
CID 54907820
5-(azepan-1-ylmethyl)-2-methylfuran-3-carboxylic acid
CID 43477377
5-[(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)methyl]-1,2-oxazole-3-carboxylic acid
CID 61397337
methyl 2-methyl-5-[[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]methyl]furan-3-carboxylate
CID 40748417
2-methyl-5-[(2-oxopyrrolidin-1-yl)methyl]furan-3-carboxylic acid
CID 43477289
3-[(3-methyl-1,2-oxazol-5-yl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 17490213
2-methyl-5-[(2-oxoimidazolidin-1-yl)methyl]furan-3-carboxylic acid
CID 61023796
5-[(3-hydroxy-3-methylpyrrolidin-1-yl)methyl]-2-methylfuran-3-carboxylic acid
CID 103356685
2-methyl-5-[(2-oxopyrimidin-1-yl)methyl]furan-3-carboxylic acid
CID 43477298
3-[(4-methylphenyl)methyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione
CID 112774081

Frequently Asked Questions

What is the IUPAC name of 5-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl]-2-methylfuran-3-carboxylic acid?
The IUPAC name of 5-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl]-2-methylfuran-3-carboxylic acid (CID 22108050) is 5-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl]-2-methylfuran-3-carboxylic acid.
What is the SMILES notation for 5-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl]-2-methylfuran-3-carboxylic acid?
The canonical SMILES for 5-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl]-2-methylfuran-3-carboxylic acid is Cc1oc(CN2C(=O)NC3(CCCCC3)C2=O)cc1C(=O)O.
What is the InChIKey of 5-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl]-2-methylfuran-3-carboxylic acid?
The InChIKey is RHZPPHOYRCVVEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O5/c1-9-11(12(18)19)7-10(22-9)8-17-13(20)15(16-14(17)21)5-3-2-4-6-15/h7H,2-6,8H2,1H3,(H,16,21)(H,18,19).
What are the key properties of 5-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl]-2-methylfuran-3-carboxylic acid?
5-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl]-2-methylfuran-3-carboxylic acid has a molecular weight of 306.32 g/mol, XLogP of 2.04, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl]-2-methylfuran-3-carboxylic acid is sourced from PubChem (CID 22108050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).