3-[N-(2,3-dihydroxypropyl)-3-hydroxyanilino]propane-1,2-diol

C12H19NO5 — CID 15361053

IUPAC3-[N-(2,3-dihydroxypropyl)-3-hydroxyanilino]propane-1,2-diol
SMILESOCC(O)CN(CC(O)CO)c1cccc(O)c1
InChIInChI=1S/C12H19NO5/c14-7-11(17)5-13(6-12(18)8-15)9-2-1-3-10(16)4-9/h1-4,11-12,14-18H,5-8H2
InChIKeyFQEUVWHMAFIVCB-UHFFFAOYSA-N
MW257.29 g/mol
LogP-1.10
Rot. Bonds7

About 3-[N-(2,3-dihydroxypropyl)-3-hydroxyanilino]propane-1,2-diol

3-[N-(2,3-dihydroxypropyl)-3-hydroxyanilino]propane-1,2-diol (PubChem CID 15361053) has the molecular formula C12H19NO5 and a molecular weight of 257.29 g/mol. Its IUPAC name is 3-[N-(2,3-dihydroxypropyl)-3-hydroxyanilino]propane-1,2-diol.

Molecular Properties

Compound Name3-[N-(2,3-dihydroxypropyl)-3-hydroxyanilino]propane-1,2-diol
PubChem CID15361053
Molecular FormulaC12H19NO5
Molecular Weight257.29 g/mol
Exact Mass257.13
IUPAC Name3-[N-(2,3-dihydroxypropyl)-3-hydroxyanilino]propane-1,2-diol
SMILESOCC(O)CN(CC(O)CO)c1cccc(O)c1
InChIInChI=1S/C12H19NO5/c14-7-11(17)5-13(6-12(18)8-15)9-2-1-3-10(16)4-9/h1-4,11-12,14-18H,5-8H2
InChIKeyFQEUVWHMAFIVCB-UHFFFAOYSA-N
XLogP-1.10
TPSA104.39 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 5-1.10
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[N-(2,3-dihydroxypropyl)-3-hydroxyanilino]propane-1,2-diol?
The IUPAC name of 3-[N-(2,3-dihydroxypropyl)-3-hydroxyanilino]propane-1,2-diol (CID 15361053) is 3-[N-(2,3-dihydroxypropyl)-3-hydroxyanilino]propane-1,2-diol.
What is the SMILES notation for 3-[N-(2,3-dihydroxypropyl)-3-hydroxyanilino]propane-1,2-diol?
The canonical SMILES for 3-[N-(2,3-dihydroxypropyl)-3-hydroxyanilino]propane-1,2-diol is OCC(O)CN(CC(O)CO)c1cccc(O)c1.
What is the InChIKey of 3-[N-(2,3-dihydroxypropyl)-3-hydroxyanilino]propane-1,2-diol?
The InChIKey is FQEUVWHMAFIVCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO5/c14-7-11(17)5-13(6-12(18)8-15)9-2-1-3-10(16)4-9/h1-4,11-12,14-18H,5-8H2.
What are the key properties of 3-[N-(2,3-dihydroxypropyl)-3-hydroxyanilino]propane-1,2-diol?
3-[N-(2,3-dihydroxypropyl)-3-hydroxyanilino]propane-1,2-diol has a molecular weight of 257.29 g/mol, XLogP of -1.10, 7 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[N-(2,3-dihydroxypropyl)-3-hydroxyanilino]propane-1,2-diol is sourced from PubChem (CID 15361053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).