1-[2-hydroxy-3-(propan-2-ylamino)propyl]-3,4-dimethylpyrrolidine-2,5-dione

C12H22N2O3 — CID 79180659

IUPAC1-[2-hydroxy-3-(propan-2-ylamino)propyl]-3,4-dimethylpyrrolidine-2,5-dione
SMILESCC(C)NCC(O)CN1C(=O)C(C)C(C)C1=O
InChIInChI=1S/C12H22N2O3/c1-7(2)13-5-10(15)6-14-11(16)8(3)9(4)12(14)17/h7-10,13,15H,5-6H2,1-4H3
InChIKeyGFMSPZBKGZLZIB-UHFFFAOYSA-N
MW242.32 g/mol
LogP-0.01
Rot. Bonds5

About 1-[2-hydroxy-3-(propan-2-ylamino)propyl]-3,4-dimethylpyrrolidine-2,5-dione

1-[2-hydroxy-3-(propan-2-ylamino)propyl]-3,4-dimethylpyrrolidine-2,5-dione (PubChem CID 79180659) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 1-[2-hydroxy-3-(propan-2-ylamino)propyl]-3,4-dimethylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[2-hydroxy-3-(propan-2-ylamino)propyl]-3,4-dimethylpyrrolidine-2,5-dione
PubChem CID79180659
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name1-[2-hydroxy-3-(propan-2-ylamino)propyl]-3,4-dimethylpyrrolidine-2,5-dione
SMILESCC(C)NCC(O)CN1C(=O)C(C)C(C)C1=O
InChIInChI=1S/C12H22N2O3/c1-7(2)13-5-10(15)6-14-11(16)8(3)9(4)12(14)17/h7-10,13,15H,5-6H2,1-4H3
InChIKeyGFMSPZBKGZLZIB-UHFFFAOYSA-N
XLogP-0.01
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3,4-dimethyl-1-[2-[(propan-2-ylamino)methyl]prop-2-enyl]pyrrolidine-2,5-dione
CID 103072679
2-[2-hydroxy-3-(propan-2-ylamino)propyl]-4,5-dimethyl-1H-pyridazine-3,6-dione
CID 63270992
1-ethyl-3-[2-hydroxy-3-(propan-2-ylamino)propyl]imidazol-2-one
CID 80581874
1-(2-hydroxy-4-phenylbutyl)-3,4-dimethylpyrrolidine-2,5-dione
CID 75521813
1-cyclopropyl-3-[2-hydroxy-3-(propan-2-ylamino)propyl]imidazol-2-one
CID 80581771
5-chloro-1-[2-hydroxy-3-(propan-2-ylamino)propyl]indole-2,3-dione
CID 43343141
1-[2-hydroxy-3-(methylamino)propyl]-3-methylpyrrolidine-2,5-dione
CID 61238098
1-(2,4-dimethylpiperidin-1-yl)-3-(propan-2-ylamino)propan-2-ol
CID 62331770
(2S)-3-(propan-2-ylamino)propane-1,2-diol
CID 7019748
1-[2-hydroxy-3-(methylamino)propyl]-4-methylpiperidine-2,6-dione
CID 79507028
4-[2-hydroxy-3-(propan-2-ylamino)propoxy]-1,7,8,9,10-pentamethyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 24829356
(3S)-3-hydroxy-4-(propan-2-ylamino)butanoic acid
CID 134164837

Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxy-3-(propan-2-ylamino)propyl]-3,4-dimethylpyrrolidine-2,5-dione?
The IUPAC name of 1-[2-hydroxy-3-(propan-2-ylamino)propyl]-3,4-dimethylpyrrolidine-2,5-dione (CID 79180659) is 1-[2-hydroxy-3-(propan-2-ylamino)propyl]-3,4-dimethylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-[2-hydroxy-3-(propan-2-ylamino)propyl]-3,4-dimethylpyrrolidine-2,5-dione?
The canonical SMILES for 1-[2-hydroxy-3-(propan-2-ylamino)propyl]-3,4-dimethylpyrrolidine-2,5-dione is CC(C)NCC(O)CN1C(=O)C(C)C(C)C1=O.
What is the InChIKey of 1-[2-hydroxy-3-(propan-2-ylamino)propyl]-3,4-dimethylpyrrolidine-2,5-dione?
The InChIKey is GFMSPZBKGZLZIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-7(2)13-5-10(15)6-14-11(16)8(3)9(4)12(14)17/h7-10,13,15H,5-6H2,1-4H3.
What are the key properties of 1-[2-hydroxy-3-(propan-2-ylamino)propyl]-3,4-dimethylpyrrolidine-2,5-dione?
1-[2-hydroxy-3-(propan-2-ylamino)propyl]-3,4-dimethylpyrrolidine-2,5-dione has a molecular weight of 242.32 g/mol, XLogP of -0.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxy-3-(propan-2-ylamino)propyl]-3,4-dimethylpyrrolidine-2,5-dione is sourced from PubChem (CID 79180659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).