2-[(2R)-3-[hydroxy(methyl)amino]-2-methoxypropyl]isoindole-1,3-dione

C13H16N2O4 — CID 176956532

IUPAC2-[(2R)-3-[hydroxy(methyl)amino]-2-methoxypropyl]isoindole-1,3-dione
SMILESCO[C@@H](CN(C)O)CN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C13H16N2O4/c1-14(18)7-9(19-2)8-15-12(16)10-5-3-4-6-11(10)13(15)17/h3-6,9,18H,7-8H2,1-2H3/t9-/m0/s1
InChIKeyUHCVXKNVBSKNRV-VIFPVBQESA-N
MW264.28 g/mol
LogP0.62
Rot. Bonds5

About 2-[(2R)-3-[hydroxy(methyl)amino]-2-methoxypropyl]isoindole-1,3-dione

2-[(2R)-3-[hydroxy(methyl)amino]-2-methoxypropyl]isoindole-1,3-dione (PubChem CID 176956532) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is 2-[(2R)-3-[hydroxy(methyl)amino]-2-methoxypropyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[(2R)-3-[hydroxy(methyl)amino]-2-methoxypropyl]isoindole-1,3-dione
PubChem CID176956532
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Name2-[(2R)-3-[hydroxy(methyl)amino]-2-methoxypropyl]isoindole-1,3-dione
SMILESCO[C@@H](CN(C)O)CN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C13H16N2O4/c1-14(18)7-9(19-2)8-15-12(16)10-5-3-4-6-11(10)13(15)17/h3-6,9,18H,7-8H2,1-2H3/t9-/m0/s1
InChIKeyUHCVXKNVBSKNRV-VIFPVBQESA-N
XLogP0.62
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[(2R)-3-[hydroxy(methyl)amino]-2-methoxypropyl]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

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-3-[hydroxy(methyl)amino]-2-methoxypropyl]isoindole-1,3-dione?
The IUPAC name of 2-[(2R)-3-[hydroxy(methyl)amino]-2-methoxypropyl]isoindole-1,3-dione (CID 176956532) is 2-[(2R)-3-[hydroxy(methyl)amino]-2-methoxypropyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[(2R)-3-[hydroxy(methyl)amino]-2-methoxypropyl]isoindole-1,3-dione?
The canonical SMILES for 2-[(2R)-3-[hydroxy(methyl)amino]-2-methoxypropyl]isoindole-1,3-dione is CO[C@@H](CN(C)O)CN1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-[(2R)-3-[hydroxy(methyl)amino]-2-methoxypropyl]isoindole-1,3-dione?
The InChIKey is UHCVXKNVBSKNRV-VIFPVBQESA-N. The full InChI is InChI=1S/C13H16N2O4/c1-14(18)7-9(19-2)8-15-12(16)10-5-3-4-6-11(10)13(15)17/h3-6,9,18H,7-8H2,1-2H3/t9-/m0/s1.
What are the key properties of 2-[(2R)-3-[hydroxy(methyl)amino]-2-methoxypropyl]isoindole-1,3-dione?
2-[(2R)-3-[hydroxy(methyl)amino]-2-methoxypropyl]isoindole-1,3-dione has a molecular weight of 264.28 g/mol, XLogP of 0.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-3-[hydroxy(methyl)amino]-2-methoxypropyl]isoindole-1,3-dione is sourced from PubChem (CID 176956532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).