1-(2,3-dihydroxypropanoyl)-5,5-diethyl-1,3-diazinane-2,4,6-trione

C11H16N2O6 — CID 141140179

IUPAC1-(2,3-dihydroxypropanoyl)-5,5-diethyl-1,3-diazinane-2,4,6-trione
SMILESCCC1(CC)C(=O)NC(=O)N(C(=O)C(O)CO)C1=O
InChIInChI=1S/C11H16N2O6/c1-3-11(4-2)8(17)12-10(19)13(9(11)18)7(16)6(15)5-14/h6,14-15H,3-5H2,1-2H3,(H,12,17,19)
InChIKeyAEVFSYZMOFEZSV-UHFFFAOYSA-N
MW272.26 g/mol
LogP-1.25
Rot. Bonds4

About 1-(2,3-dihydroxypropanoyl)-5,5-diethyl-1,3-diazinane-2,4,6-trione

1-(2,3-dihydroxypropanoyl)-5,5-diethyl-1,3-diazinane-2,4,6-trione (PubChem CID 141140179) has the molecular formula C11H16N2O6 and a molecular weight of 272.26 g/mol. Its IUPAC name is 1-(2,3-dihydroxypropanoyl)-5,5-diethyl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name1-(2,3-dihydroxypropanoyl)-5,5-diethyl-1,3-diazinane-2,4,6-trione
PubChem CID141140179
Molecular FormulaC11H16N2O6
Molecular Weight272.26 g/mol
Exact Mass272.10
IUPAC Name1-(2,3-dihydroxypropanoyl)-5,5-diethyl-1,3-diazinane-2,4,6-trione
SMILESCCC1(CC)C(=O)NC(=O)N(C(=O)C(O)CO)C1=O
InChIInChI=1S/C11H16N2O6/c1-3-11(4-2)8(17)12-10(19)13(9(11)18)7(16)6(15)5-14/h6,14-15H,3-5H2,1-2H3,(H,12,17,19)
InChIKeyAEVFSYZMOFEZSV-UHFFFAOYSA-N
XLogP-1.25
TPSA124.01 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 5-1.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-(2-bromobenzoyl)-5,5-diethyl-1,3-diazinane-2,4,6-trione
CID 1368548
1-butan-2-yl-5,5-diethyl-1,3-diazinane-2,4,6-trione
CID 604008
1-[2-(diethylamino)ethyl]-5,5-diethyl-1,3-diazinane-2,4,6-trione
CID 17019932
methyl 2-(5,5-diethyl-2,4,6-trioxo-1,3-diazinan-1-yl)-3-methylbutanoate
CID 115947468
5,5-diethyl-1-hexan-3-yl-1,3-diazinane-2,4,6-trione
CID 112600385
1-[2-(dimethylamino)propyl]-5,5-diethyl-1,3-diazinane-2,4,6-trione
CID 112599989
(5S)-5-ethyl-1-(2-iodobenzoyl)-5-(3-methylbutyl)-1,3-diazinane-2,4,6-trione
CID 41066693
5,5-diethyl-1-(3-methylpentan-3-yl)-1,3-diazinane-2,4,6-trione
CID 106329286
1-(6-chlorohexyl)-5,5-diethyl-1,3-diazinane-2,4,6-trione
CID 13177933
5,5-diethyl-1-prop-2-enyl-1,3-diazinane-2,4,6-trione
CID 24186
1-(2,2-dicyclopropylethyl)-5,5-diethyl-1,3-diazinane-2,4,6-trione
CID 115948579
3-(5,5-diethyl-2,4,6-trioxo-1,3-diazinan-1-yl)-N-propylpropanamide
CID 115947318

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydroxypropanoyl)-5,5-diethyl-1,3-diazinane-2,4,6-trione?
The IUPAC name of 1-(2,3-dihydroxypropanoyl)-5,5-diethyl-1,3-diazinane-2,4,6-trione (CID 141140179) is 1-(2,3-dihydroxypropanoyl)-5,5-diethyl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 1-(2,3-dihydroxypropanoyl)-5,5-diethyl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 1-(2,3-dihydroxypropanoyl)-5,5-diethyl-1,3-diazinane-2,4,6-trione is CCC1(CC)C(=O)NC(=O)N(C(=O)C(O)CO)C1=O.
What is the InChIKey of 1-(2,3-dihydroxypropanoyl)-5,5-diethyl-1,3-diazinane-2,4,6-trione?
The InChIKey is AEVFSYZMOFEZSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O6/c1-3-11(4-2)8(17)12-10(19)13(9(11)18)7(16)6(15)5-14/h6,14-15H,3-5H2,1-2H3,(H,12,17,19).
What are the key properties of 1-(2,3-dihydroxypropanoyl)-5,5-diethyl-1,3-diazinane-2,4,6-trione?
1-(2,3-dihydroxypropanoyl)-5,5-diethyl-1,3-diazinane-2,4,6-trione has a molecular weight of 272.26 g/mol, XLogP of -1.25, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydroxypropanoyl)-5,5-diethyl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 141140179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).