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

C6H15NO3 — CID 76891482

IUPAC3-(1-hydroxypropan-2-ylamino)propane-1,2-diol
SMILESCC(CO)NCC(O)CO
InChIInChI=1S/C6H15NO3/c1-5(3-8)7-2-6(10)4-9/h5-10H,2-4H2,1H3
InChIKeyDKKNNWSYBTXHHJ-UHFFFAOYSA-N
MW149.19 g/mol
LogP-1.69
Rot. Bonds5

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

3-(1-hydroxypropan-2-ylamino)propane-1,2-diol (PubChem CID 76891482) has the molecular formula C6H15NO3 and a molecular weight of 149.19 g/mol. Its IUPAC name is 3-(1-hydroxypropan-2-ylamino)propane-1,2-diol.

Molecular Properties

Compound Name3-(1-hydroxypropan-2-ylamino)propane-1,2-diol
PubChem CID76891482
Molecular FormulaC6H15NO3
Molecular Weight149.19 g/mol
Exact Mass149.11
IUPAC Name3-(1-hydroxypropan-2-ylamino)propane-1,2-diol
SMILESCC(CO)NCC(O)CO
InChIInChI=1S/C6H15NO3/c1-5(3-8)7-2-6(10)4-9/h5-10H,2-4H2,1H3
InChIKeyDKKNNWSYBTXHHJ-UHFFFAOYSA-N
XLogP-1.69
TPSA72.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.19
LogP ≤ 5-1.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1-hydroxypropan-2-ylamino)propane-1,2-diol?
The IUPAC name of 3-(1-hydroxypropan-2-ylamino)propane-1,2-diol (CID 76891482) is 3-(1-hydroxypropan-2-ylamino)propane-1,2-diol.
What is the SMILES notation for 3-(1-hydroxypropan-2-ylamino)propane-1,2-diol?
The canonical SMILES for 3-(1-hydroxypropan-2-ylamino)propane-1,2-diol is CC(CO)NCC(O)CO.
What is the InChIKey of 3-(1-hydroxypropan-2-ylamino)propane-1,2-diol?
The InChIKey is DKKNNWSYBTXHHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO3/c1-5(3-8)7-2-6(10)4-9/h5-10H,2-4H2,1H3.
What are the key properties of 3-(1-hydroxypropan-2-ylamino)propane-1,2-diol?
3-(1-hydroxypropan-2-ylamino)propane-1,2-diol has a molecular weight of 149.19 g/mol, XLogP of -1.69, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-hydroxypropan-2-ylamino)propane-1,2-diol is sourced from PubChem (CID 76891482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).