[1-[1-(2-hydroxyethylamino)-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl] 2-hydroxypropanoate

C11H19NO7 — CID 21334745

IUPAC[1-[1-(2-hydroxyethylamino)-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl] 2-hydroxypropanoate
SMILESCC(O)C(=O)OC(C)C(=O)OC(C)C(=O)NCCO
InChIInChI=1S/C11H19NO7/c1-6(14)10(16)19-8(3)11(17)18-7(2)9(15)12-4-5-13/h6-8,13-14H,4-5H2,1-3H3,(H,12,15)
InChIKeyQQADRDYEEUFHRM-UHFFFAOYSA-N
MW277.27 g/mol
LogP-1.66
Rot. Bonds7

About [1-[1-(2-hydroxyethylamino)-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl] 2-hydroxypropanoate

[1-[1-(2-hydroxyethylamino)-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl] 2-hydroxypropanoate (PubChem CID 21334745) has the molecular formula C11H19NO7 and a molecular weight of 277.27 g/mol. Its IUPAC name is [1-[1-(2-hydroxyethylamino)-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl] 2-hydroxypropanoate.

Molecular Properties

Compound Name[1-[1-(2-hydroxyethylamino)-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl] 2-hydroxypropanoate
PubChem CID21334745
Molecular FormulaC11H19NO7
Molecular Weight277.27 g/mol
Exact Mass277.12
IUPAC Name[1-[1-(2-hydroxyethylamino)-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl] 2-hydroxypropanoate
SMILESCC(O)C(=O)OC(C)C(=O)OC(C)C(=O)NCCO
InChIInChI=1S/C11H19NO7/c1-6(14)10(16)19-8(3)11(17)18-7(2)9(15)12-4-5-13/h6-8,13-14H,4-5H2,1-3H3,(H,12,15)
InChIKeyQQADRDYEEUFHRM-UHFFFAOYSA-N
XLogP-1.66
TPSA122.16 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.27
LogP ≤ 5-1.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [1-[1-(2-hydroxyethylamino)-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl] 2-hydroxypropanoate?
The IUPAC name of [1-[1-(2-hydroxyethylamino)-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl] 2-hydroxypropanoate (CID 21334745) is [1-[1-(2-hydroxyethylamino)-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl] 2-hydroxypropanoate.
What is the SMILES notation for [1-[1-(2-hydroxyethylamino)-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl] 2-hydroxypropanoate?
The canonical SMILES for [1-[1-(2-hydroxyethylamino)-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl] 2-hydroxypropanoate is CC(O)C(=O)OC(C)C(=O)OC(C)C(=O)NCCO.
What is the InChIKey of [1-[1-(2-hydroxyethylamino)-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl] 2-hydroxypropanoate?
The InChIKey is QQADRDYEEUFHRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO7/c1-6(14)10(16)19-8(3)11(17)18-7(2)9(15)12-4-5-13/h6-8,13-14H,4-5H2,1-3H3,(H,12,15).
What are the key properties of [1-[1-(2-hydroxyethylamino)-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl] 2-hydroxypropanoate?
[1-[1-(2-hydroxyethylamino)-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl] 2-hydroxypropanoate has a molecular weight of 277.27 g/mol, XLogP of -1.66, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[1-(2-hydroxyethylamino)-1-oxopropan-2-yl]oxy-1-oxopropan-2-yl] 2-hydroxypropanoate is sourced from PubChem (CID 21334745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).