2-[3-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]propyl]isoindole-1,3-dione

C15H18N2O4 — CID 103734065

IUPAC2-[3-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]propyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CCCN1C[C@@H](O)[C@@H](O)C1
InChIInChI=1S/C15H18N2O4/c18-12-8-16(9-13(12)19)6-3-7-17-14(20)10-4-1-2-5-11(10)15(17)21/h1-2,4-5,12-13,18-19H,3,6-9H2/t12-,13+
InChIKeyKJTWBHQREQLRLQ-BETUJISGSA-N
MW290.32 g/mol
LogP-0.29
Rot. Bonds4

About 2-[3-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]propyl]isoindole-1,3-dione

2-[3-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]propyl]isoindole-1,3-dione (PubChem CID 103734065) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is 2-[3-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]propyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[3-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]propyl]isoindole-1,3-dione
PubChem CID103734065
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Name2-[3-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]propyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CCCN1C[C@@H](O)[C@@H](O)C1
InChIInChI=1S/C15H18N2O4/c18-12-8-16(9-13(12)19)6-3-7-17-14(20)10-4-1-2-5-11(10)15(17)21/h1-2,4-5,12-13,18-19H,3,6-9H2/t12-,13+
InChIKeyKJTWBHQREQLRLQ-BETUJISGSA-N
XLogP-0.29
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[3-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]propyl]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

2-[[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]methyl]isoindole-1,3-dione
CID 79420634
2-(3-pyrrolidin-1-ylpropyl)isoindole-1,3-dione
CID 12612173
2-[3-(3-fluoropyrrolidin-1-yl)propyl]isoindole-1,3-dione
CID 175208589
2-[4-(1,3-dioxoisoindol-2-yl)(1,4-13C2)butyl]isoindole-1,3-dione
CID 10784038
2-[4-(1,3-dihydroisoindol-2-yl)butyl]isoindole-1,3-dione
CID 127052466
2-[3-(4-acetylpiperazin-1-yl)propyl]isoindole-1,3-dione
CID 29230770
2-[4-[3-(hydroxymethyl)pyrrolidin-1-yl]butyl]isoindole-1,3-dione
CID 111442706
2-[2-(3-hydroxypyrrolidin-1-yl)ethyl]isoindole-1,3-dione
CID 62918343
2-[2-[(3R)-3-hydroxypyrrolidin-1-yl]ethyl]isoindole-1,3-dione
CID 78963607
2-[4-(8-hydroxy-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-2-yl)butyl]isoindole-1,3-dione
CID 15662364
N-[1-[3-(1,3-dioxoisoindol-2-yl)propyl]piperidin-4-yl]-N-methylmethanesulfonamide
CID 48736556
3-(1,3-dioxoisoindol-2-yl)propane-1-sulfonic acid
CID 3385233

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]propyl]isoindole-1,3-dione?
The IUPAC name of 2-[3-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]propyl]isoindole-1,3-dione (CID 103734065) is 2-[3-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]propyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[3-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]propyl]isoindole-1,3-dione?
The canonical SMILES for 2-[3-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]propyl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1CCCN1C[C@@H](O)[C@@H](O)C1.
What is the InChIKey of 2-[3-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]propyl]isoindole-1,3-dione?
The InChIKey is KJTWBHQREQLRLQ-BETUJISGSA-N. The full InChI is InChI=1S/C15H18N2O4/c18-12-8-16(9-13(12)19)6-3-7-17-14(20)10-4-1-2-5-11(10)15(17)21/h1-2,4-5,12-13,18-19H,3,6-9H2/t12-,13+.
What are the key properties of 2-[3-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]propyl]isoindole-1,3-dione?
2-[3-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]propyl]isoindole-1,3-dione has a molecular weight of 290.32 g/mol, XLogP of -0.29, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]propyl]isoindole-1,3-dione is sourced from PubChem (CID 103734065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).