2-[(1S,2R)-1-cyclopentyl-1-hydroxy-3-(methylamino)propan-2-yl]isoindole-1,3-dione

C17H22N2O3 — CID 59383059

IUPAC2-[(1S,2R)-1-cyclopentyl-1-hydroxy-3-(methylamino)propan-2-yl]isoindole-1,3-dione
SMILESCNC[C@H]([C@@H](O)C1CCCC1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C17H22N2O3/c1-18-10-14(15(20)11-6-2-3-7-11)19-16(21)12-8-4-5-9-13(12)17(19)22/h4-5,8-9,11,14-15,18,20H,2-3,6-7,10H2,1H3/t14-,15+/m1/s1
InChIKeyOHXIKUHEDKCAPL-CABCVRRESA-N
MW302.37 g/mol
LogP1.42
Rot. Bonds5

About 2-[(1S,2R)-1-cyclopentyl-1-hydroxy-3-(methylamino)propan-2-yl]isoindole-1,3-dione

2-[(1S,2R)-1-cyclopentyl-1-hydroxy-3-(methylamino)propan-2-yl]isoindole-1,3-dione (PubChem CID 59383059) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is 2-[(1S,2R)-1-cyclopentyl-1-hydroxy-3-(methylamino)propan-2-yl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[(1S,2R)-1-cyclopentyl-1-hydroxy-3-(methylamino)propan-2-yl]isoindole-1,3-dione
PubChem CID59383059
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC Name2-[(1S,2R)-1-cyclopentyl-1-hydroxy-3-(methylamino)propan-2-yl]isoindole-1,3-dione
SMILESCNC[C@H]([C@@H](O)C1CCCC1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C17H22N2O3/c1-18-10-14(15(20)11-6-2-3-7-11)19-16(21)12-8-4-5-9-13(12)17(19)22/h4-5,8-9,11,14-15,18,20H,2-3,6-7,10H2,1H3/t14-,15+/m1/s1
InChIKeyOHXIKUHEDKCAPL-CABCVRRESA-N
XLogP1.42
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(1S,2R)-1-cyclopentyl-1-hydroxy-3-(methylamino)propan-2-yl]isoindole-1,3-dione?
The IUPAC name of 2-[(1S,2R)-1-cyclopentyl-1-hydroxy-3-(methylamino)propan-2-yl]isoindole-1,3-dione (CID 59383059) is 2-[(1S,2R)-1-cyclopentyl-1-hydroxy-3-(methylamino)propan-2-yl]isoindole-1,3-dione.
What is the SMILES notation for 2-[(1S,2R)-1-cyclopentyl-1-hydroxy-3-(methylamino)propan-2-yl]isoindole-1,3-dione?
The canonical SMILES for 2-[(1S,2R)-1-cyclopentyl-1-hydroxy-3-(methylamino)propan-2-yl]isoindole-1,3-dione is CNC[C@H]([C@@H](O)C1CCCC1)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-[(1S,2R)-1-cyclopentyl-1-hydroxy-3-(methylamino)propan-2-yl]isoindole-1,3-dione?
The InChIKey is OHXIKUHEDKCAPL-CABCVRRESA-N. The full InChI is InChI=1S/C17H22N2O3/c1-18-10-14(15(20)11-6-2-3-7-11)19-16(21)12-8-4-5-9-13(12)17(19)22/h4-5,8-9,11,14-15,18,20H,2-3,6-7,10H2,1H3/t14-,15+/m1/s1.
What are the key properties of 2-[(1S,2R)-1-cyclopentyl-1-hydroxy-3-(methylamino)propan-2-yl]isoindole-1,3-dione?
2-[(1S,2R)-1-cyclopentyl-1-hydroxy-3-(methylamino)propan-2-yl]isoindole-1,3-dione has a molecular weight of 302.37 g/mol, XLogP of 1.42, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,2R)-1-cyclopentyl-1-hydroxy-3-(methylamino)propan-2-yl]isoindole-1,3-dione is sourced from PubChem (CID 59383059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).