[2-(2,6-dioxopiperidin-4-yl)-2-hydroxyethyl]-propylazanium chloride

C10H19ClN2O3 — CID 110174803

IUPAC[2-(2,6-dioxopiperidin-4-yl)-2-hydroxyethyl]-propylazanium chloride
SMILESCCC[NH2+]CC(O)C1CC(=O)NC(=O)C1.[Cl-]
InChIInChI=1S/C10H18N2O3.ClH/c1-2-3-11-6-8(13)7-4-9(14)12-10(15)5-7;/h7-8,11,13H,2-6H2,1H3,(H,12,14,15);1H
InChIKeyWVFPFUPNVQJWJG-UHFFFAOYSA-N
MW250.73 g/mol
LogP-4.62
Rot. Bonds5

About [2-(2,6-dioxopiperidin-4-yl)-2-hydroxyethyl]-propylazanium chloride

[2-(2,6-dioxopiperidin-4-yl)-2-hydroxyethyl]-propylazanium chloride (PubChem CID 110174803) has the molecular formula C10H19ClN2O3 and a molecular weight of 250.73 g/mol. Its IUPAC name is [2-(2,6-dioxopiperidin-4-yl)-2-hydroxyethyl]-propylazanium chloride.

Molecular Properties

Compound Name[2-(2,6-dioxopiperidin-4-yl)-2-hydroxyethyl]-propylazanium chloride
PubChem CID110174803
Molecular FormulaC10H19ClN2O3
Molecular Weight250.73 g/mol
Exact Mass250.11
IUPAC Name[2-(2,6-dioxopiperidin-4-yl)-2-hydroxyethyl]-propylazanium chloride
SMILESCCC[NH2+]CC(O)C1CC(=O)NC(=O)C1.[Cl-]
InChIInChI=1S/C10H18N2O3.ClH/c1-2-3-11-6-8(13)7-4-9(14)12-10(15)5-7;/h7-8,11,13H,2-6H2,1H3,(H,12,14,15);1H
InChIKeyWVFPFUPNVQJWJG-UHFFFAOYSA-N
XLogP-4.62
TPSA83.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.73
LogP ≤ 5-4.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4R)-4-[(1S)-1-hydroxypropyl]pyrrolidin-2-one
CID 66713637
[2-(2,6-dioxopiperidin-4-yl)-2-hydroxyethyl]-[1-(2-methoxyphenyl)propan-2-yl]azanium chloride
CID 110175328
(4S)-4-[(1S)-1,2-dihydroxyethyl]pyrrolidin-2-one
CID 55299892
(4S)-4-[(1S,2R)-1,2,3-trihydroxypropyl]pyrrolidin-2-one
CID 146161426
(4S)-4-(1-hydroxypropyl)azetidin-2-one
CID 18638683
4-propan-2-ylpyrrolidin-2-one
CID 20976007
3-[(3-ethyl-2-hydroxypentyl)amino]pyrrolidine-2,5-dione
CID 106285340
4-[(2R)-2-hydroxy-2-[(1S,3S,5R)-4-hydroxy-3,5-dimethyl-2-oxocyclohexyl]ethyl]piperidine-2,6-dione
CID 163007342
ethane;propane;3-sulfanylpyrrolidine-2,5-dione
CID 144975396
4-[(2R)-2-[(3S,5S)-3,5-dimethyl-2-oxocyclohexyl]-2-hydroxyethyl]piperidine-2,6-dione
CID 16760040
4-(3-aminopentyl)piperidine-2,6-dione
CID 55254665
3-(2-ethylhexyl)pyrrolidine-2,5-dione
CID 172620709

Frequently Asked Questions

What is the IUPAC name of [2-(2,6-dioxopiperidin-4-yl)-2-hydroxyethyl]-propylazanium chloride?
The IUPAC name of [2-(2,6-dioxopiperidin-4-yl)-2-hydroxyethyl]-propylazanium chloride (CID 110174803) is [2-(2,6-dioxopiperidin-4-yl)-2-hydroxyethyl]-propylazanium chloride.
What is the SMILES notation for [2-(2,6-dioxopiperidin-4-yl)-2-hydroxyethyl]-propylazanium chloride?
The canonical SMILES for [2-(2,6-dioxopiperidin-4-yl)-2-hydroxyethyl]-propylazanium chloride is CCC[NH2+]CC(O)C1CC(=O)NC(=O)C1.[Cl-].
What is the InChIKey of [2-(2,6-dioxopiperidin-4-yl)-2-hydroxyethyl]-propylazanium chloride?
The InChIKey is WVFPFUPNVQJWJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3.ClH/c1-2-3-11-6-8(13)7-4-9(14)12-10(15)5-7;/h7-8,11,13H,2-6H2,1H3,(H,12,14,15);1H.
What are the key properties of [2-(2,6-dioxopiperidin-4-yl)-2-hydroxyethyl]-propylazanium chloride?
[2-(2,6-dioxopiperidin-4-yl)-2-hydroxyethyl]-propylazanium chloride has a molecular weight of 250.73 g/mol, XLogP of -4.62, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,6-dioxopiperidin-4-yl)-2-hydroxyethyl]-propylazanium chloride is sourced from PubChem (CID 110174803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).