5-[[(2S,4R)-2-(aminomethyl)-4-methoxypyrrolidin-1-yl]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione

C20H24N4O5 — CID 167731367

IUPAC5-[[(2S,4R)-2-(aminomethyl)-4-methoxypyrrolidin-1-yl]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
SMILESCO[C@@H]1C[C@@H](CN)N(Cc2ccc3c(c2)C(=O)N(C2CCC(=O)NC2=O)C3=O)C1
InChIInChI=1S/C20H24N4O5/c1-29-13-7-12(8-21)23(10-13)9-11-2-3-14-15(6-11)20(28)24(19(14)27)16-4-5-17(25)22-18(16)26/h2-3,6,12-13,16H,4-5,7-10,21H2,1H3,(H,22,25,26)/t12-,13+,16?/m0/s1
InChIKeyCTTOWBQMLCFDON-FTLRAWMYSA-N
MW400.44 g/mol
LogP-0.36
Rot. Bonds5

About 5-[[(2S,4R)-2-(aminomethyl)-4-methoxypyrrolidin-1-yl]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione

5-[[(2S,4R)-2-(aminomethyl)-4-methoxypyrrolidin-1-yl]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione (PubChem CID 167731367) has the molecular formula C20H24N4O5 and a molecular weight of 400.44 g/mol. Its IUPAC name is 5-[[(2S,4R)-2-(aminomethyl)-4-methoxypyrrolidin-1-yl]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione.

Molecular Properties

Compound Name5-[[(2S,4R)-2-(aminomethyl)-4-methoxypyrrolidin-1-yl]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
PubChem CID167731367
Molecular FormulaC20H24N4O5
Molecular Weight400.44 g/mol
Exact Mass400.17
IUPAC Name5-[[(2S,4R)-2-(aminomethyl)-4-methoxypyrrolidin-1-yl]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
SMILESCO[C@@H]1C[C@@H](CN)N(Cc2ccc3c(c2)C(=O)N(C2CCC(=O)NC2=O)C3=O)C1
InChIInChI=1S/C20H24N4O5/c1-29-13-7-12(8-21)23(10-13)9-11-2-3-14-15(6-11)20(28)24(19(14)27)16-4-5-17(25)22-18(16)26/h2-3,6,12-13,16H,4-5,7-10,21H2,1H3,(H,22,25,26)/t12-,13+,16?/m0/s1
InChIKeyCTTOWBQMLCFDON-FTLRAWMYSA-N
XLogP-0.36
TPSA122.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.44
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 5-[[(2S,4R)-2-(aminomethyl)-4-methoxypyrrolidin-1-yl]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione 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

5-[[2-(aminomethyl)-5-methylpiperidin-1-yl]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167728351
5-[[(2S,4R)-2-(aminomethyl)-4-propan-2-ylpiperidin-1-yl]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167733512
5-[(3-aminoazetidin-1-yl)methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167733813
5-(3,6-diazabicyclo[3.2.1]octan-6-ylmethyl)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167734807
5-[[(1R,5S,6R)-6-(aminomethyl)-3-azabicyclo[3.2.0]heptan-3-yl]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167718446
5-[[(3S,5S)-3-amino-5-methylpiperidin-1-yl]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167740368
3-[5-[[(2S,4S)-2-(aminomethyl)-4-(methoxymethyl)pyrrolidin-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167742006
5-[[4-(1-amino-2-methylpropan-2-yl)piperidin-1-yl]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167741570
2-(2,6-dioxopiperidin-3-yl)-5-[(7-methyl-1,4-diazepan-1-yl)methyl]isoindole-1,3-dione
CID 167716655
2-(2,6-dioxopiperidin-3-yl)-5-[(4-methylpiperazin-1-yl)methyl]isoindole-1,3-dione
CID 168872542
5-[[3-(aminomethyl)-2,3-dihydroindol-1-yl]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167716936
5-(4,8-diazatricyclo[5.2.2.02,6]undecan-8-ylmethyl)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 167722447

Frequently Asked Questions

What is the IUPAC name of 5-[[(2S,4R)-2-(aminomethyl)-4-methoxypyrrolidin-1-yl]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
The IUPAC name of 5-[[(2S,4R)-2-(aminomethyl)-4-methoxypyrrolidin-1-yl]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione (CID 167731367) is 5-[[(2S,4R)-2-(aminomethyl)-4-methoxypyrrolidin-1-yl]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione.
What is the SMILES notation for 5-[[(2S,4R)-2-(aminomethyl)-4-methoxypyrrolidin-1-yl]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
The canonical SMILES for 5-[[(2S,4R)-2-(aminomethyl)-4-methoxypyrrolidin-1-yl]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione is CO[C@@H]1C[C@@H](CN)N(Cc2ccc3c(c2)C(=O)N(C2CCC(=O)NC2=O)C3=O)C1.
What is the InChIKey of 5-[[(2S,4R)-2-(aminomethyl)-4-methoxypyrrolidin-1-yl]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
The InChIKey is CTTOWBQMLCFDON-FTLRAWMYSA-N. The full InChI is InChI=1S/C20H24N4O5/c1-29-13-7-12(8-21)23(10-13)9-11-2-3-14-15(6-11)20(28)24(19(14)27)16-4-5-17(25)22-18(16)26/h2-3,6,12-13,16H,4-5,7-10,21H2,1H3,(H,22,25,26)/t12-,13+,16?/m0/s1.
What are the key properties of 5-[[(2S,4R)-2-(aminomethyl)-4-methoxypyrrolidin-1-yl]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
5-[[(2S,4R)-2-(aminomethyl)-4-methoxypyrrolidin-1-yl]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione has a molecular weight of 400.44 g/mol, XLogP of -0.36, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2S,4R)-2-(aminomethyl)-4-methoxypyrrolidin-1-yl]methyl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione is sourced from PubChem (CID 167731367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).