3-(methylamino)propane-1,2-diol;molecular iodine;yttrium

C4H11I2NO2Y — CID 161205708

IUPAC3-(methylamino)propane-1,2-diol;molecular iodine;yttrium
SMILESCNCC(O)CO.II.[Y]
InChIInChI=1S/C4H11NO2.I2.Y/c1-5-2-4(7)3-6;1-2;/h4-7H,2-3H2,1H3;;
InChIKeyCKADGRWSZZBIEK-UHFFFAOYSA-N
MW447.85 g/mol
LogP0.33
Rot. Bonds3

About 3-(methylamino)propane-1,2-diol;molecular iodine;yttrium

3-(methylamino)propane-1,2-diol;molecular iodine;yttrium (PubChem CID 161205708) has the molecular formula C4H11I2NO2Y and a molecular weight of 447.85 g/mol. Its IUPAC name is 3-(methylamino)propane-1,2-diol;molecular iodine;yttrium.

Molecular Properties

Compound Name3-(methylamino)propane-1,2-diol;molecular iodine;yttrium
PubChem CID161205708
Molecular FormulaC4H11I2NO2Y
Molecular Weight447.85 g/mol
Exact Mass447.79
IUPAC Name3-(methylamino)propane-1,2-diol;molecular iodine;yttrium
SMILESCNCC(O)CO.II.[Y]
InChIInChI=1S/C4H11NO2.I2.Y/c1-5-2-4(7)3-6;1-2;/h4-7H,2-3H2,1H3;;
InChIKeyCKADGRWSZZBIEK-UHFFFAOYSA-N
XLogP0.33
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.85
LogP ≤ 50.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-3-[[(2S)-2,3-dihydroxypropyl]amino]propane-1,2-diol
CID 93482173
1-(methylamino)butan-2-ol;hydrate
CID 173049330
5-(methylamino)pentane-1,4-diol
CID 54247724
(2S)-3-(propan-2-ylamino)propane-1,2-diol
CID 7019748
(2S,3S)-1,4-bis(methylamino)butane-2,3-diol
CID 100939749
(2R,3S,4R,5R)-4-methyl-6-(methylamino)hexane-1,2,3,5-tetrol
CID 159142928
(2R,3S,4S,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol
CID 12598089
1-(dimethylamino)-3-(methylamino)propan-2-ol
CID 12700841
(2R,3S,4R)-5-(methylamino)pentane-1,2,3,4-tetrol
CID 59973525
3-(1-hydroxypropan-2-ylamino)propane-1,2-diol
CID 76891482
(2R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol
CID 89253185
2-methyl-3-(methylamino)propan-1-ol
CID 23264324

Frequently Asked Questions

What is the IUPAC name of 3-(methylamino)propane-1,2-diol;molecular iodine;yttrium?
The IUPAC name of 3-(methylamino)propane-1,2-diol;molecular iodine;yttrium (CID 161205708) is 3-(methylamino)propane-1,2-diol;molecular iodine;yttrium.
What is the SMILES notation for 3-(methylamino)propane-1,2-diol;molecular iodine;yttrium?
The canonical SMILES for 3-(methylamino)propane-1,2-diol;molecular iodine;yttrium is CNCC(O)CO.II.[Y].
What is the InChIKey of 3-(methylamino)propane-1,2-diol;molecular iodine;yttrium?
The InChIKey is CKADGRWSZZBIEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NO2.I2.Y/c1-5-2-4(7)3-6;1-2;/h4-7H,2-3H2,1H3;;.
What are the key properties of 3-(methylamino)propane-1,2-diol;molecular iodine;yttrium?
3-(methylamino)propane-1,2-diol;molecular iodine;yttrium has a molecular weight of 447.85 g/mol, XLogP of 0.33, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylamino)propane-1,2-diol;molecular iodine;yttrium is sourced from PubChem (CID 161205708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).