[(3R)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-[[(2R)-oxolan-2-yl]methyl]azanium

C16H21N2O4+ — CID 6923610

IUPAC[(3R)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-[[(2R)-oxolan-2-yl]methyl]azanium
SMILESCOc1ccc(N2C(=O)C[C@@H]([NH2+]C[C@H]3CCCO3)C2=O)cc1
InChIInChI=1S/C16H20N2O4/c1-21-12-6-4-11(5-7-12)18-15(19)9-14(16(18)20)17-10-13-3-2-8-22-13/h4-7,13-14,17H,2-3,8-10H2,1H3/p+1/t13-,14-/m1/s1
InChIKeyGCMIKSOBZPKBLG-ZIAGYGMSSA-O
MW305.35 g/mol
LogP0.07
Rot. Bonds5

About [(3R)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-[[(2R)-oxolan-2-yl]methyl]azanium

[(3R)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-[[(2R)-oxolan-2-yl]methyl]azanium (PubChem CID 6923610) has the molecular formula C16H21N2O4+ and a molecular weight of 305.35 g/mol. Its IUPAC name is [(3R)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-[[(2R)-oxolan-2-yl]methyl]azanium.

Molecular Properties

Compound Name[(3R)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-[[(2R)-oxolan-2-yl]methyl]azanium
PubChem CID6923610
Molecular FormulaC16H21N2O4+
Molecular Weight305.35 g/mol
Exact Mass305.15
IUPAC Name[(3R)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-[[(2R)-oxolan-2-yl]methyl]azanium
SMILESCOc1ccc(N2C(=O)C[C@@H]([NH2+]C[C@H]3CCCO3)C2=O)cc1
InChIInChI=1S/C16H20N2O4/c1-21-12-6-4-11(5-7-12)18-15(19)9-14(16(18)20)17-10-13-3-2-8-22-13/h4-7,13-14,17H,2-3,8-10H2,1H3/p+1/t13-,14-/m1/s1
InChIKeyGCMIKSOBZPKBLG-ZIAGYGMSSA-O
XLogP0.07
TPSA72.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.35
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

cyclopentyl-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]azanium
CID 4744551
(3,4-dichlorophenyl)methyl-[(3S)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]azanium
CID 7279556
(2,5-dioxo-1-phenylpyrrolidin-3-yl)-[(4-methoxyphenyl)methyl]azanium
CID 4068669
2-(1-adamantyloxy)ethyl-[(3S)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]azanium
CID 7122566
[(3R)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-[2-(3-methylthiophen-2-yl)ethyl]azanium
CID 7057832
2-(1-adamantyloxy)ethyl-[(3R)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]azanium
CID 7122568
[(3R)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-[(1S,2R)-2-methylcyclohexyl]azanium
CID 7471061
[(3S)-1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-[2-(4-methoxyphenyl)ethyl]azanium
CID 6968752
(3R)-1-(4-ethoxyphenyl)-3-[[(2R)-oxolan-2-yl]methylamino]pyrrolidine-2,5-dione
CID 843067
[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-(pyridin-3-ylmethyl)azanium
CID 4168854
[(3R)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-[[4-(trifluoromethoxy)phenyl]methyl]azanium
CID 7320954
[(3S)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-[(4-sulfamoylphenyl)methyl]azanium
CID 6968722

Frequently Asked Questions

What is the IUPAC name of [(3R)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-[[(2R)-oxolan-2-yl]methyl]azanium?
The IUPAC name of [(3R)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-[[(2R)-oxolan-2-yl]methyl]azanium (CID 6923610) is [(3R)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-[[(2R)-oxolan-2-yl]methyl]azanium.
What is the SMILES notation for [(3R)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-[[(2R)-oxolan-2-yl]methyl]azanium?
The canonical SMILES for [(3R)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-[[(2R)-oxolan-2-yl]methyl]azanium is COc1ccc(N2C(=O)C[C@@H]([NH2+]C[C@H]3CCCO3)C2=O)cc1.
What is the InChIKey of [(3R)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-[[(2R)-oxolan-2-yl]methyl]azanium?
The InChIKey is GCMIKSOBZPKBLG-ZIAGYGMSSA-O. The full InChI is InChI=1S/C16H20N2O4/c1-21-12-6-4-11(5-7-12)18-15(19)9-14(16(18)20)17-10-13-3-2-8-22-13/h4-7,13-14,17H,2-3,8-10H2,1H3/p+1/t13-,14-/m1/s1.
What are the key properties of [(3R)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-[[(2R)-oxolan-2-yl]methyl]azanium?
[(3R)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-[[(2R)-oxolan-2-yl]methyl]azanium has a molecular weight of 305.35 g/mol, XLogP of 0.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-[[(2R)-oxolan-2-yl]methyl]azanium is sourced from PubChem (CID 6923610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).