2-(1,3-dihydroxypropan-2-ylamino)propane-1,3-diol

C6H15NO4 — CID 10702193

IUPAC2-(1,3-dihydroxypropan-2-ylamino)propane-1,3-diol
SMILESOCC(CO)NC(CO)CO
InChIInChI=1S/C6H15NO4/c8-1-5(2-9)7-6(3-10)4-11/h5-11H,1-4H2
InChIKeyUDAOBXRAGBHTNS-UHFFFAOYSA-N
MW165.19 g/mol
LogP-2.72
Rot. Bonds6

About 2-(1,3-dihydroxypropan-2-ylamino)propane-1,3-diol

2-(1,3-dihydroxypropan-2-ylamino)propane-1,3-diol (PubChem CID 10702193) has the molecular formula C6H15NO4 and a molecular weight of 165.19 g/mol. Its IUPAC name is 2-(1,3-dihydroxypropan-2-ylamino)propane-1,3-diol.

Molecular Properties

Compound Name2-(1,3-dihydroxypropan-2-ylamino)propane-1,3-diol
PubChem CID10702193
Molecular FormulaC6H15NO4
Molecular Weight165.19 g/mol
Exact Mass165.10
IUPAC Name2-(1,3-dihydroxypropan-2-ylamino)propane-1,3-diol
SMILESOCC(CO)NC(CO)CO
InChIInChI=1S/C6H15NO4/c8-1-5(2-9)7-6(3-10)4-11/h5-11H,1-4H2
InChIKeyUDAOBXRAGBHTNS-UHFFFAOYSA-N
XLogP-2.72
TPSA92.95 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.19
LogP ≤ 5-2.72
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dihydroxypropan-2-ylamino)propane-1,3-diol?
The IUPAC name of 2-(1,3-dihydroxypropan-2-ylamino)propane-1,3-diol (CID 10702193) is 2-(1,3-dihydroxypropan-2-ylamino)propane-1,3-diol.
What is the SMILES notation for 2-(1,3-dihydroxypropan-2-ylamino)propane-1,3-diol?
The canonical SMILES for 2-(1,3-dihydroxypropan-2-ylamino)propane-1,3-diol is OCC(CO)NC(CO)CO.
What is the InChIKey of 2-(1,3-dihydroxypropan-2-ylamino)propane-1,3-diol?
The InChIKey is UDAOBXRAGBHTNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO4/c8-1-5(2-9)7-6(3-10)4-11/h5-11H,1-4H2.
What are the key properties of 2-(1,3-dihydroxypropan-2-ylamino)propane-1,3-diol?
2-(1,3-dihydroxypropan-2-ylamino)propane-1,3-diol has a molecular weight of 165.19 g/mol, XLogP of -2.72, 6 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dihydroxypropan-2-ylamino)propane-1,3-diol is sourced from PubChem (CID 10702193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).