methyl 5-[[(3S)-3-methyl-2,5-dioxo-3-phenylpyrrolidin-1-yl]methyl]furan-3-carboxylate

C18H17NO5 — CID 124614160

IUPACmethyl 5-[[(3S)-3-methyl-2,5-dioxo-3-phenylpyrrolidin-1-yl]methyl]furan-3-carboxylate
SMILESCOC(=O)c1coc(CN2C(=O)C[C@@](C)(c3ccccc3)C2=O)c1
InChIInChI=1S/C18H17NO5/c1-18(13-6-4-3-5-7-13)9-15(20)19(17(18)22)10-14-8-12(11-24-14)16(21)23-2/h3-8,11H,9-10H2,1-2H3/t18-/m0/s1
InChIKeyIJERDZBUEJLIQC-SFHVURJKSA-N
MW327.34 g/mol
LogP2.28
Rot. Bonds4

About methyl 5-[[(3S)-3-methyl-2,5-dioxo-3-phenylpyrrolidin-1-yl]methyl]furan-3-carboxylate

methyl 5-[[(3S)-3-methyl-2,5-dioxo-3-phenylpyrrolidin-1-yl]methyl]furan-3-carboxylate (PubChem CID 124614160) has the molecular formula C18H17NO5 and a molecular weight of 327.34 g/mol. Its IUPAC name is methyl 5-[[(3S)-3-methyl-2,5-dioxo-3-phenylpyrrolidin-1-yl]methyl]furan-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[(3S)-3-methyl-2,5-dioxo-3-phenylpyrrolidin-1-yl]methyl]furan-3-carboxylate
PubChem CID124614160
Molecular FormulaC18H17NO5
Molecular Weight327.34 g/mol
Exact Mass327.11
IUPAC Namemethyl 5-[[(3S)-3-methyl-2,5-dioxo-3-phenylpyrrolidin-1-yl]methyl]furan-3-carboxylate
SMILESCOC(=O)c1coc(CN2C(=O)C[C@@](C)(c3ccccc3)C2=O)c1
InChIInChI=1S/C18H17NO5/c1-18(13-6-4-3-5-7-13)9-15(20)19(17(18)22)10-14-8-12(11-24-14)16(21)23-2/h3-8,11H,9-10H2,1-2H3/t18-/m0/s1
InChIKeyIJERDZBUEJLIQC-SFHVURJKSA-N
XLogP2.28
TPSA76.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze methyl 5-[[(3S)-3-methyl-2,5-dioxo-3-phenylpyrrolidin-1-yl]methyl]furan-3-carboxylate with MolForge

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Related Compounds

5-[(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)methyl]furan-3-carboxylic acid
CID 65301366
(3R)-1-benzyl-3-methyl-3-phenylpyrrolidine-2,5-dione
CID 102187715
5-[(4,4-dimethyl-2,6-dioxopiperidin-1-yl)methyl]furan-3-carbohydrazide
CID 63581288
3-methyl-1-[3-(methylamino)propyl]-3-phenylpyrrolidine-2,5-dione
CID 61348826
3-methyl-3-phenyl-1-[2-(propan-2-ylamino)ethyl]pyrrolidine-2,5-dione
CID 62663417
methyl 4-[[2-[(3S)-3-(4-bromophenyl)-3-methyl-2,5-dioxopyrrolidin-1-yl]acetyl]amino]benzoate
CID 95788796
1-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-3-methyl-3-phenylpyrrolidine-2,5-dione
CID 70675869
methyl 5-ethylfuran-3-carboxylate
CID 23661323
3-(4-methoxycarbonylfuran-2-yl)propanoic acid
CID 99988483
methyl 5-[[(1-methylcyclobutyl)methylamino]methyl]furan-3-carboxylate
CID 104586478
methyl 5-[[(3-methoxy-2,2-dimethylcyclobutyl)amino]methyl]furan-3-carboxylate
CID 104586463
methyl 5-(chloromethyl)furan-3-carboxylate
CID 47002840

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[(3S)-3-methyl-2,5-dioxo-3-phenylpyrrolidin-1-yl]methyl]furan-3-carboxylate?
The IUPAC name of methyl 5-[[(3S)-3-methyl-2,5-dioxo-3-phenylpyrrolidin-1-yl]methyl]furan-3-carboxylate (CID 124614160) is methyl 5-[[(3S)-3-methyl-2,5-dioxo-3-phenylpyrrolidin-1-yl]methyl]furan-3-carboxylate.
What is the SMILES notation for methyl 5-[[(3S)-3-methyl-2,5-dioxo-3-phenylpyrrolidin-1-yl]methyl]furan-3-carboxylate?
The canonical SMILES for methyl 5-[[(3S)-3-methyl-2,5-dioxo-3-phenylpyrrolidin-1-yl]methyl]furan-3-carboxylate is COC(=O)c1coc(CN2C(=O)C[C@@](C)(c3ccccc3)C2=O)c1.
What is the InChIKey of methyl 5-[[(3S)-3-methyl-2,5-dioxo-3-phenylpyrrolidin-1-yl]methyl]furan-3-carboxylate?
The InChIKey is IJERDZBUEJLIQC-SFHVURJKSA-N. The full InChI is InChI=1S/C18H17NO5/c1-18(13-6-4-3-5-7-13)9-15(20)19(17(18)22)10-14-8-12(11-24-14)16(21)23-2/h3-8,11H,9-10H2,1-2H3/t18-/m0/s1.
What are the key properties of methyl 5-[[(3S)-3-methyl-2,5-dioxo-3-phenylpyrrolidin-1-yl]methyl]furan-3-carboxylate?
methyl 5-[[(3S)-3-methyl-2,5-dioxo-3-phenylpyrrolidin-1-yl]methyl]furan-3-carboxylate has a molecular weight of 327.34 g/mol, XLogP of 2.28, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[(3S)-3-methyl-2,5-dioxo-3-phenylpyrrolidin-1-yl]methyl]furan-3-carboxylate is sourced from PubChem (CID 124614160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).