(3R)-3-(1,3-benzodioxol-5-ylamino)-1-(2-methoxyethyl)pyrrolidine-2,5-dione

C14H16N2O5 — CID 98289728

IUPAC(3R)-3-(1,3-benzodioxol-5-ylamino)-1-(2-methoxyethyl)pyrrolidine-2,5-dione
SMILESCOCCN1C(=O)C[C@@H](Nc2ccc3c(c2)OCO3)C1=O
InChIInChI=1S/C14H16N2O5/c1-19-5-4-16-13(17)7-10(14(16)18)15-9-2-3-11-12(6-9)21-8-20-11/h2-3,6,10,15H,4-5,7-8H2,1H3/t10-/m1/s1
InChIKeyAKWSHIXPTNMXQY-SNVBAGLBSA-N
MW292.29 g/mol
LogP0.60
Rot. Bonds5

About (3R)-3-(1,3-benzodioxol-5-ylamino)-1-(2-methoxyethyl)pyrrolidine-2,5-dione

(3R)-3-(1,3-benzodioxol-5-ylamino)-1-(2-methoxyethyl)pyrrolidine-2,5-dione (PubChem CID 98289728) has the molecular formula C14H16N2O5 and a molecular weight of 292.29 g/mol. Its IUPAC name is (3R)-3-(1,3-benzodioxol-5-ylamino)-1-(2-methoxyethyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3R)-3-(1,3-benzodioxol-5-ylamino)-1-(2-methoxyethyl)pyrrolidine-2,5-dione
PubChem CID98289728
Molecular FormulaC14H16N2O5
Molecular Weight292.29 g/mol
Exact Mass292.11
IUPAC Name(3R)-3-(1,3-benzodioxol-5-ylamino)-1-(2-methoxyethyl)pyrrolidine-2,5-dione
SMILESCOCCN1C(=O)C[C@@H](Nc2ccc3c(c2)OCO3)C1=O
InChIInChI=1S/C14H16N2O5/c1-19-5-4-16-13(17)7-10(14(16)18)15-9-2-3-11-12(6-9)21-8-20-11/h2-3,6,10,15H,4-5,7-8H2,1H3/t10-/m1/s1
InChIKeyAKWSHIXPTNMXQY-SNVBAGLBSA-N
XLogP0.60
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

(3S)-3-[4-(dimethylamino)anilino]-1-(2-methoxyethyl)pyrrolidine-2,5-dione
CID 7186089
(3R)-1-(2-methoxyethyl)-3-(4-morpholin-4-ylanilino)pyrrolidine-2,5-dione
CID 2242316
(3R)-3-(1,3-benzodioxol-5-ylamino)-1-cyclohexylpyrrolidine-2,5-dione
CID 7456103
1-ethyl-3-[4-(2-methoxyethoxy)anilino]pyrrolidine-2,5-dione
CID 47030349
3-[4-(1,3-benzodioxol-5-ylamino)piperidin-1-yl]-1-ethylpyrrolidine-2,5-dione
CID 5302084
1-ethyl-3-[3-(2-methoxyethoxy)anilino]pyrrolidine-2,5-dione
CID 60933482
3-(1,3-benzodioxol-5-ylamino)-4-(2,4-dichlorophenyl)-1-(2-methoxyethyl)pyrrole-2,5-dione
CID 110568269
(3R)-3-[4-(1,3-benzodioxol-5-ylamino)piperidin-1-yl]-1-[(4-methoxyphenyl)methyl]pyrrolidine-2,5-dione
CID 41354537
(3S)-3-(3,4-dimethylanilino)-1-ethylpyrrolidine-2,5-dione
CID 894359
3-(4-tert-butylanilino)-1-propylpyrrolidine-2,5-dione
CID 43636391
(3S)-1-butyl-3-[4-(dimethylamino)anilino]pyrrolidine-2,5-dione
CID 92537847
(3E)-1-(1,3-benzodioxol-5-yl)-3-[3-(2-methoxyethyl)-2-oxo-4aH-quinazolin-4-ylidene]urea
CID 52971593

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(1,3-benzodioxol-5-ylamino)-1-(2-methoxyethyl)pyrrolidine-2,5-dione?
The IUPAC name of (3R)-3-(1,3-benzodioxol-5-ylamino)-1-(2-methoxyethyl)pyrrolidine-2,5-dione (CID 98289728) is (3R)-3-(1,3-benzodioxol-5-ylamino)-1-(2-methoxyethyl)pyrrolidine-2,5-dione.
What is the SMILES notation for (3R)-3-(1,3-benzodioxol-5-ylamino)-1-(2-methoxyethyl)pyrrolidine-2,5-dione?
The canonical SMILES for (3R)-3-(1,3-benzodioxol-5-ylamino)-1-(2-methoxyethyl)pyrrolidine-2,5-dione is COCCN1C(=O)C[C@@H](Nc2ccc3c(c2)OCO3)C1=O.
What is the InChIKey of (3R)-3-(1,3-benzodioxol-5-ylamino)-1-(2-methoxyethyl)pyrrolidine-2,5-dione?
The InChIKey is AKWSHIXPTNMXQY-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H16N2O5/c1-19-5-4-16-13(17)7-10(14(16)18)15-9-2-3-11-12(6-9)21-8-20-11/h2-3,6,10,15H,4-5,7-8H2,1H3/t10-/m1/s1.
What are the key properties of (3R)-3-(1,3-benzodioxol-5-ylamino)-1-(2-methoxyethyl)pyrrolidine-2,5-dione?
(3R)-3-(1,3-benzodioxol-5-ylamino)-1-(2-methoxyethyl)pyrrolidine-2,5-dione has a molecular weight of 292.29 g/mol, XLogP of 0.60, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(1,3-benzodioxol-5-ylamino)-1-(2-methoxyethyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 98289728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).