2-[1-[1,3-dihydroxypropan-2-yl(hydroxymethyl)amino]propyl-(hydroxymethyl)amino]propane-1,3-diol

C11H26N2O6 — CID 87193650

IUPAC2-[1-[1,3-dihydroxypropan-2-yl(hydroxymethyl)amino]propyl-(hydroxymethyl)amino]propane-1,3-diol
SMILESCCC(N(CO)C(CO)CO)N(CO)C(CO)CO
InChIInChI=1S/C11H26N2O6/c1-2-11(12(7-18)9(3-14)4-15)13(8-19)10(5-16)6-17/h9-11,14-19H,2-8H2,1H3
InChIKeyKVVAIPHHDAJJIQ-UHFFFAOYSA-N
MW282.34 g/mol
LogP-3.07
Rot. Bonds11

About 2-[1-[1,3-dihydroxypropan-2-yl(hydroxymethyl)amino]propyl-(hydroxymethyl)amino]propane-1,3-diol

2-[1-[1,3-dihydroxypropan-2-yl(hydroxymethyl)amino]propyl-(hydroxymethyl)amino]propane-1,3-diol (PubChem CID 87193650) has the molecular formula C11H26N2O6 and a molecular weight of 282.34 g/mol. Its IUPAC name is 2-[1-[1,3-dihydroxypropan-2-yl(hydroxymethyl)amino]propyl-(hydroxymethyl)amino]propane-1,3-diol.

Molecular Properties

Compound Name2-[1-[1,3-dihydroxypropan-2-yl(hydroxymethyl)amino]propyl-(hydroxymethyl)amino]propane-1,3-diol
PubChem CID87193650
Molecular FormulaC11H26N2O6
Molecular Weight282.34 g/mol
Exact Mass282.18
IUPAC Name2-[1-[1,3-dihydroxypropan-2-yl(hydroxymethyl)amino]propyl-(hydroxymethyl)amino]propane-1,3-diol
SMILESCCC(N(CO)C(CO)CO)N(CO)C(CO)CO
InChIInChI=1S/C11H26N2O6/c1-2-11(12(7-18)9(3-14)4-15)13(8-19)10(5-16)6-17/h9-11,14-19H,2-8H2,1H3
InChIKeyKVVAIPHHDAJJIQ-UHFFFAOYSA-N
XLogP-3.07
TPSA127.86 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.34
LogP ≤ 5-3.07
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 2-[1-[1,3-dihydroxypropan-2-yl(hydroxymethyl)amino]propyl-(hydroxymethyl)amino]propane-1,3-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[1-[1,3-dihydroxypropan-2-yl(hydroxymethyl)amino]propyl-(hydroxymethyl)amino]propane-1,3-diol?
The IUPAC name of 2-[1-[1,3-dihydroxypropan-2-yl(hydroxymethyl)amino]propyl-(hydroxymethyl)amino]propane-1,3-diol (CID 87193650) is 2-[1-[1,3-dihydroxypropan-2-yl(hydroxymethyl)amino]propyl-(hydroxymethyl)amino]propane-1,3-diol.
What is the SMILES notation for 2-[1-[1,3-dihydroxypropan-2-yl(hydroxymethyl)amino]propyl-(hydroxymethyl)amino]propane-1,3-diol?
The canonical SMILES for 2-[1-[1,3-dihydroxypropan-2-yl(hydroxymethyl)amino]propyl-(hydroxymethyl)amino]propane-1,3-diol is CCC(N(CO)C(CO)CO)N(CO)C(CO)CO.
What is the InChIKey of 2-[1-[1,3-dihydroxypropan-2-yl(hydroxymethyl)amino]propyl-(hydroxymethyl)amino]propane-1,3-diol?
The InChIKey is KVVAIPHHDAJJIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2O6/c1-2-11(12(7-18)9(3-14)4-15)13(8-19)10(5-16)6-17/h9-11,14-19H,2-8H2,1H3.
What are the key properties of 2-[1-[1,3-dihydroxypropan-2-yl(hydroxymethyl)amino]propyl-(hydroxymethyl)amino]propane-1,3-diol?
2-[1-[1,3-dihydroxypropan-2-yl(hydroxymethyl)amino]propyl-(hydroxymethyl)amino]propane-1,3-diol has a molecular weight of 282.34 g/mol, XLogP of -3.07, 11 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[1,3-dihydroxypropan-2-yl(hydroxymethyl)amino]propyl-(hydroxymethyl)amino]propane-1,3-diol is sourced from PubChem (CID 87193650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).