3-[2-[2,3-dihydroxypropyl(prop-2-enyl)amino]propyl-prop-2-enylamino]propane-1,2-diol

C15H30N2O4 — CID 22889171

IUPAC3-[2-[2,3-dihydroxypropyl(prop-2-enyl)amino]propyl-prop-2-enylamino]propane-1,2-diol
SMILESC=CCN(CC(O)CO)CC(C)N(CC=C)CC(O)CO
InChIInChI=1S/C15H30N2O4/c1-4-6-16(9-14(20)11-18)8-13(3)17(7-5-2)10-15(21)12-19/h4-5,13-15,18-21H,1-2,6-12H2,3H3
InChIKeyWUJIZMVWGXCMLO-UHFFFAOYSA-N
MW302.42 g/mol
LogP-0.94
Rot. Bonds13

About 3-[2-[2,3-dihydroxypropyl(prop-2-enyl)amino]propyl-prop-2-enylamino]propane-1,2-diol

3-[2-[2,3-dihydroxypropyl(prop-2-enyl)amino]propyl-prop-2-enylamino]propane-1,2-diol (PubChem CID 22889171) has the molecular formula C15H30N2O4 and a molecular weight of 302.42 g/mol. Its IUPAC name is 3-[2-[2,3-dihydroxypropyl(prop-2-enyl)amino]propyl-prop-2-enylamino]propane-1,2-diol.

Molecular Properties

Compound Name3-[2-[2,3-dihydroxypropyl(prop-2-enyl)amino]propyl-prop-2-enylamino]propane-1,2-diol
PubChem CID22889171
Molecular FormulaC15H30N2O4
Molecular Weight302.42 g/mol
Exact Mass302.22
IUPAC Name3-[2-[2,3-dihydroxypropyl(prop-2-enyl)amino]propyl-prop-2-enylamino]propane-1,2-diol
SMILESC=CCN(CC(O)CO)CC(C)N(CC=C)CC(O)CO
InChIInChI=1S/C15H30N2O4/c1-4-6-16(9-14(20)11-18)8-13(3)17(7-5-2)10-15(21)12-19/h4-5,13-15,18-21H,1-2,6-12H2,3H3
InChIKeyWUJIZMVWGXCMLO-UHFFFAOYSA-N
XLogP-0.94
TPSA87.40 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 5-0.94
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[2,3-dihydroxypropyl(prop-2-enyl)amino]propyl-prop-2-enylamino]propane-1,2-diol?
The IUPAC name of 3-[2-[2,3-dihydroxypropyl(prop-2-enyl)amino]propyl-prop-2-enylamino]propane-1,2-diol (CID 22889171) is 3-[2-[2,3-dihydroxypropyl(prop-2-enyl)amino]propyl-prop-2-enylamino]propane-1,2-diol.
What is the SMILES notation for 3-[2-[2,3-dihydroxypropyl(prop-2-enyl)amino]propyl-prop-2-enylamino]propane-1,2-diol?
The canonical SMILES for 3-[2-[2,3-dihydroxypropyl(prop-2-enyl)amino]propyl-prop-2-enylamino]propane-1,2-diol is C=CCN(CC(O)CO)CC(C)N(CC=C)CC(O)CO.
What is the InChIKey of 3-[2-[2,3-dihydroxypropyl(prop-2-enyl)amino]propyl-prop-2-enylamino]propane-1,2-diol?
The InChIKey is WUJIZMVWGXCMLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O4/c1-4-6-16(9-14(20)11-18)8-13(3)17(7-5-2)10-15(21)12-19/h4-5,13-15,18-21H,1-2,6-12H2,3H3.
What are the key properties of 3-[2-[2,3-dihydroxypropyl(prop-2-enyl)amino]propyl-prop-2-enylamino]propane-1,2-diol?
3-[2-[2,3-dihydroxypropyl(prop-2-enyl)amino]propyl-prop-2-enylamino]propane-1,2-diol has a molecular weight of 302.42 g/mol, XLogP of -0.94, 13 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2,3-dihydroxypropyl(prop-2-enyl)amino]propyl-prop-2-enylamino]propane-1,2-diol is sourced from PubChem (CID 22889171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).