methyl (2R)-2-[[(6R,10S)-6,10-dimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]methyl]-5-methyl-2,3-dihydrofuran-4-carboxylate

C18H26N2O5 — CID 98856515

IUPACmethyl (2R)-2-[[(6R,10S)-6,10-dimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]methyl]-5-methyl-2,3-dihydrofuran-4-carboxylate
SMILESCOC(=O)C1=C(C)O[C@@H](CN2C(=O)NC3(C2=O)[C@H](C)CCC[C@@H]3C)C1
InChIInChI=1S/C18H26N2O5/c1-10-6-5-7-11(2)18(10)16(22)20(17(23)19-18)9-13-8-14(12(3)25-13)15(21)24-4/h10-11,13H,5-9H2,1-4H3,(H,19,23)/t10-,11+,13-,18?/m1/s1
InChIKeyPJMNSTZSIYELFD-TZNHPFGPSA-N
MW350.42 g/mol
LogP1.97
Rot. Bonds3

About methyl (2R)-2-[[(6R,10S)-6,10-dimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]methyl]-5-methyl-2,3-dihydrofuran-4-carboxylate

methyl (2R)-2-[[(6R,10S)-6,10-dimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]methyl]-5-methyl-2,3-dihydrofuran-4-carboxylate (PubChem CID 98856515) has the molecular formula C18H26N2O5 and a molecular weight of 350.42 g/mol. Its IUPAC name is methyl (2R)-2-[[(6R,10S)-6,10-dimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]methyl]-5-methyl-2,3-dihydrofuran-4-carboxylate.

Molecular Properties

Compound Namemethyl (2R)-2-[[(6R,10S)-6,10-dimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]methyl]-5-methyl-2,3-dihydrofuran-4-carboxylate
PubChem CID98856515
Molecular FormulaC18H26N2O5
Molecular Weight350.42 g/mol
Exact Mass350.18
IUPAC Namemethyl (2R)-2-[[(6R,10S)-6,10-dimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]methyl]-5-methyl-2,3-dihydrofuran-4-carboxylate
SMILESCOC(=O)C1=C(C)O[C@@H](CN2C(=O)NC3(C2=O)[C@H](C)CCC[C@@H]3C)C1
InChIInChI=1S/C18H26N2O5/c1-10-6-5-7-11(2)18(10)16(22)20(17(23)19-18)9-13-8-14(12(3)25-13)15(21)24-4/h10-11,13H,5-9H2,1-4H3,(H,19,23)/t10-,11+,13-,18?/m1/s1
InChIKeyPJMNSTZSIYELFD-TZNHPFGPSA-N
XLogP1.97
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze methyl (2R)-2-[[(6R,10S)-6,10-dimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]methyl]-5-methyl-2,3-dihydrofuran-4-carboxylate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-[[(6R,10S)-6,10-dimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]methyl]-5-methyl-2,3-dihydrofuran-4-carboxylate?
The IUPAC name of methyl (2R)-2-[[(6R,10S)-6,10-dimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]methyl]-5-methyl-2,3-dihydrofuran-4-carboxylate (CID 98856515) is methyl (2R)-2-[[(6R,10S)-6,10-dimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]methyl]-5-methyl-2,3-dihydrofuran-4-carboxylate.
What is the SMILES notation for methyl (2R)-2-[[(6R,10S)-6,10-dimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]methyl]-5-methyl-2,3-dihydrofuran-4-carboxylate?
The canonical SMILES for methyl (2R)-2-[[(6R,10S)-6,10-dimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]methyl]-5-methyl-2,3-dihydrofuran-4-carboxylate is COC(=O)C1=C(C)O[C@@H](CN2C(=O)NC3(C2=O)[C@H](C)CCC[C@@H]3C)C1.
What is the InChIKey of methyl (2R)-2-[[(6R,10S)-6,10-dimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]methyl]-5-methyl-2,3-dihydrofuran-4-carboxylate?
The InChIKey is PJMNSTZSIYELFD-TZNHPFGPSA-N. The full InChI is InChI=1S/C18H26N2O5/c1-10-6-5-7-11(2)18(10)16(22)20(17(23)19-18)9-13-8-14(12(3)25-13)15(21)24-4/h10-11,13H,5-9H2,1-4H3,(H,19,23)/t10-,11+,13-,18?/m1/s1.
What are the key properties of methyl (2R)-2-[[(6R,10S)-6,10-dimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]methyl]-5-methyl-2,3-dihydrofuran-4-carboxylate?
methyl (2R)-2-[[(6R,10S)-6,10-dimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]methyl]-5-methyl-2,3-dihydrofuran-4-carboxylate has a molecular weight of 350.42 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-[[(6R,10S)-6,10-dimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]methyl]-5-methyl-2,3-dihydrofuran-4-carboxylate is sourced from PubChem (CID 98856515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).