1-(3-amino-2-hydroxypropyl)piperidine-2,6-dione

C8H14N2O3 — CID 43447638

IUPAC1-(3-amino-2-hydroxypropyl)piperidine-2,6-dione
SMILESNCC(O)CN1C(=O)CCCC1=O
InChIInChI=1S/C8H14N2O3/c9-4-6(11)5-10-7(12)2-1-3-8(10)13/h6,11H,1-5,9H2
InChIKeyCRTDUTHOKPPVGZ-UHFFFAOYSA-N
MW186.21 g/mol
LogP-1.15
Rot. Bonds3

About 1-(3-amino-2-hydroxypropyl)piperidine-2,6-dione

1-(3-amino-2-hydroxypropyl)piperidine-2,6-dione (PubChem CID 43447638) has the molecular formula C8H14N2O3 and a molecular weight of 186.21 g/mol. Its IUPAC name is 1-(3-amino-2-hydroxypropyl)piperidine-2,6-dione.

Molecular Properties

Compound Name1-(3-amino-2-hydroxypropyl)piperidine-2,6-dione
PubChem CID43447638
Molecular FormulaC8H14N2O3
Molecular Weight186.21 g/mol
Exact Mass186.10
IUPAC Name1-(3-amino-2-hydroxypropyl)piperidine-2,6-dione
SMILESNCC(O)CN1C(=O)CCCC1=O
InChIInChI=1S/C8H14N2O3/c9-4-6(11)5-10-7(12)2-1-3-8(10)13/h6,11H,1-5,9H2
InChIKeyCRTDUTHOKPPVGZ-UHFFFAOYSA-N
XLogP-1.15
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 5-1.15
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-(2,6-dioxopiperidin-1-yl)-2-hydroxypropanamide
CID 106172345
1,3-bis(3-amino-2-hydroxypropyl)imidazolidine-2,4,5-trione
CID 139973010
1-[(2S)-2-aminopropyl]piperidine-2,6-dione
CID 93050253
1-[3-(cyclopropylamino)-2-hydroxypropyl]azepane-2,7-dione
CID 43447627
1-(4-hydroxy-2-methylbutyl)piperidine-2,6-dione
CID 66107801
3-(3-amino-2-hydroxypropyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 64834723
4-(2,3-dihydroxypropyl)morpholine-3,5-dione
CID 66176288
1-[2-(2-fluorophenyl)-2-hydroxyethyl]piperidine-2,6-dione
CID 113463158
1-(4-aminobutyl)piperidine-2,6-dione
CID 43447549
2-[(2,6-dioxopiperidin-1-yl)methyl]pentanoic acid
CID 65222111
1-[(2R)-4-[4-[(3R)-4-(2,5-dioxopyrrolidin-1-yl)-3-hydroxybutoxy]phenoxy]-2-hydroxybutyl]pyrrolidine-2,5-dione
CID 1109836
1-(2,2-dimethoxyethyl)azepane-2,7-dione
CID 60976210

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-2-hydroxypropyl)piperidine-2,6-dione?
The IUPAC name of 1-(3-amino-2-hydroxypropyl)piperidine-2,6-dione (CID 43447638) is 1-(3-amino-2-hydroxypropyl)piperidine-2,6-dione.
What is the SMILES notation for 1-(3-amino-2-hydroxypropyl)piperidine-2,6-dione?
The canonical SMILES for 1-(3-amino-2-hydroxypropyl)piperidine-2,6-dione is NCC(O)CN1C(=O)CCCC1=O.
What is the InChIKey of 1-(3-amino-2-hydroxypropyl)piperidine-2,6-dione?
The InChIKey is CRTDUTHOKPPVGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O3/c9-4-6(11)5-10-7(12)2-1-3-8(10)13/h6,11H,1-5,9H2.
What are the key properties of 1-(3-amino-2-hydroxypropyl)piperidine-2,6-dione?
1-(3-amino-2-hydroxypropyl)piperidine-2,6-dione has a molecular weight of 186.21 g/mol, XLogP of -1.15, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-2-hydroxypropyl)piperidine-2,6-dione is sourced from PubChem (CID 43447638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).