(2-amino-2-oxoethyl)-[(3R)-2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl]azanium

C15H20N3O4+ — CID 7034592

IUPAC(2-amino-2-oxoethyl)-[(3R)-2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl]azanium
SMILESCCCOc1ccc(N2C(=O)C[C@@H]([NH2+]CC(N)=O)C2=O)cc1
InChIInChI=1S/C15H19N3O4/c1-2-7-22-11-5-3-10(4-6-11)18-14(20)8-12(15(18)21)17-9-13(16)19/h3-6,12,17H,2,7-9H2,1H3,(H2,16,19)/p+1/t12-/m1/s1
InChIKeyAHXZPLHXOUTBGV-GFCCVEGCSA-O
MW306.34 g/mol
LogP-0.84
Rot. Bonds7

About (2-amino-2-oxoethyl)-[(3R)-2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl]azanium

(2-amino-2-oxoethyl)-[(3R)-2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl]azanium (PubChem CID 7034592) has the molecular formula C15H20N3O4+ and a molecular weight of 306.34 g/mol. Its IUPAC name is (2-amino-2-oxoethyl)-[(3R)-2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl]azanium.

Molecular Properties

Compound Name(2-amino-2-oxoethyl)-[(3R)-2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl]azanium
PubChem CID7034592
Molecular FormulaC15H20N3O4+
Molecular Weight306.34 g/mol
Exact Mass306.14
IUPAC Name(2-amino-2-oxoethyl)-[(3R)-2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl]azanium
SMILESCCCOc1ccc(N2C(=O)C[C@@H]([NH2+]CC(N)=O)C2=O)cc1
InChIInChI=1S/C15H19N3O4/c1-2-7-22-11-5-3-10(4-6-11)18-14(20)8-12(15(18)21)17-9-13(16)19/h3-6,12,17H,2,7-9H2,1H3,(H2,16,19)/p+1/t12-/m1/s1
InChIKeyAHXZPLHXOUTBGV-GFCCVEGCSA-O
XLogP-0.84
TPSA106.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.34
LogP ≤ 5-0.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2-amino-2-oxoethyl)-[(3R)-2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl]azanium with MolForge

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

Launch Full Analysis

Related Compounds

[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-(2-methoxy-2-oxoethyl)azanium
CID 4090695
[2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl]-(2-hydroxy-2-phenylethyl)azanium
CID 3436791
[(3S)-1-(4-butoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-(2-phenylethyl)azanium
CID 2273222
2-[(3S)-2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl]sulfanylacetic acid
CID 2053267
ethyl 4-[2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl]piperazine-1-carboxylate
CID 2858062
[(3R)-1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-(2-ethoxy-2-oxoethyl)azanium
CID 6966599
(3R)-3-[4-[(3R)-2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl]piperazin-1-yl]-1-(4-propoxyphenyl)pyrrolidine-2,5-dione
CID 7986469
[(3S)-2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl]-[(2R)-1-phenylpropan-2-yl]azanium
CID 2273374
[(3S)-2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl]-[(2S)-1-phenylpropan-2-yl]azanium
CID 2273370
3-[3-[[2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl]amino]propylamino]-1-(4-propoxyphenyl)pyrrolidine-2,5-dione
CID 4302030
[1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-(2-methoxy-2-oxoethyl)azanium
CID 4073531
(3S)-3-(cyclopropylamino)-1-(4-propoxyphenyl)pyrrolidine-2,5-dione
CID 92693012

Frequently Asked Questions

What is the IUPAC name of (2-amino-2-oxoethyl)-[(3R)-2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl]azanium?
The IUPAC name of (2-amino-2-oxoethyl)-[(3R)-2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl]azanium (CID 7034592) is (2-amino-2-oxoethyl)-[(3R)-2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl]azanium.
What is the SMILES notation for (2-amino-2-oxoethyl)-[(3R)-2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl]azanium?
The canonical SMILES for (2-amino-2-oxoethyl)-[(3R)-2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl]azanium is CCCOc1ccc(N2C(=O)C[C@@H]([NH2+]CC(N)=O)C2=O)cc1.
What is the InChIKey of (2-amino-2-oxoethyl)-[(3R)-2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl]azanium?
The InChIKey is AHXZPLHXOUTBGV-GFCCVEGCSA-O. The full InChI is InChI=1S/C15H19N3O4/c1-2-7-22-11-5-3-10(4-6-11)18-14(20)8-12(15(18)21)17-9-13(16)19/h3-6,12,17H,2,7-9H2,1H3,(H2,16,19)/p+1/t12-/m1/s1.
What are the key properties of (2-amino-2-oxoethyl)-[(3R)-2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl]azanium?
(2-amino-2-oxoethyl)-[(3R)-2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl]azanium has a molecular weight of 306.34 g/mol, XLogP of -0.84, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-2-oxoethyl)-[(3R)-2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl]azanium is sourced from PubChem (CID 7034592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).