2-(diethylamino)ethanol;2-(2-hydroxypropanoyloxy)propanoic acid

C12H25NO6 — CID 170846238

IUPAC2-(diethylamino)ethanol;2-(2-hydroxypropanoyloxy)propanoic acid
SMILESCC(O)C(=O)OC(C)C(=O)O.CCN(CC)CCO
InChIInChI=1S/C6H15NO.C6H10O5/c1-3-7(4-2)5-6-8;1-3(7)6(10)11-4(2)5(8)9/h8H,3-6H2,1-2H3;3-4,7H,1-2H3,(H,8,9)
InChIKeyWWKNAEKQZAKHLE-UHFFFAOYSA-N
MW279.33 g/mol
LogP-0.30
Rot. Bonds7

About 2-(diethylamino)ethanol;2-(2-hydroxypropanoyloxy)propanoic acid

2-(diethylamino)ethanol;2-(2-hydroxypropanoyloxy)propanoic acid (PubChem CID 170846238) has the molecular formula C12H25NO6 and a molecular weight of 279.33 g/mol. Its IUPAC name is 2-(diethylamino)ethanol;2-(2-hydroxypropanoyloxy)propanoic acid.

Molecular Properties

Compound Name2-(diethylamino)ethanol;2-(2-hydroxypropanoyloxy)propanoic acid
PubChem CID170846238
Molecular FormulaC12H25NO6
Molecular Weight279.33 g/mol
Exact Mass279.17
IUPAC Name2-(diethylamino)ethanol;2-(2-hydroxypropanoyloxy)propanoic acid
SMILESCC(O)C(=O)OC(C)C(=O)O.CCN(CC)CCO
InChIInChI=1S/C6H15NO.C6H10O5/c1-3-7(4-2)5-6-8;1-3(7)6(10)11-4(2)5(8)9/h8H,3-6H2,1-2H3;3-4,7H,1-2H3,(H,8,9)
InChIKeyWWKNAEKQZAKHLE-UHFFFAOYSA-N
XLogP-0.30
TPSA107.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.33
LogP ≤ 5-0.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)ethanol;2-(2-hydroxypropanoyloxy)propanoic acid?
The IUPAC name of 2-(diethylamino)ethanol;2-(2-hydroxypropanoyloxy)propanoic acid (CID 170846238) is 2-(diethylamino)ethanol;2-(2-hydroxypropanoyloxy)propanoic acid.
What is the SMILES notation for 2-(diethylamino)ethanol;2-(2-hydroxypropanoyloxy)propanoic acid?
The canonical SMILES for 2-(diethylamino)ethanol;2-(2-hydroxypropanoyloxy)propanoic acid is CC(O)C(=O)OC(C)C(=O)O.CCN(CC)CCO.
What is the InChIKey of 2-(diethylamino)ethanol;2-(2-hydroxypropanoyloxy)propanoic acid?
The InChIKey is WWKNAEKQZAKHLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO.C6H10O5/c1-3-7(4-2)5-6-8;1-3(7)6(10)11-4(2)5(8)9/h8H,3-6H2,1-2H3;3-4,7H,1-2H3,(H,8,9).
What are the key properties of 2-(diethylamino)ethanol;2-(2-hydroxypropanoyloxy)propanoic acid?
2-(diethylamino)ethanol;2-(2-hydroxypropanoyloxy)propanoic acid has a molecular weight of 279.33 g/mol, XLogP of -0.30, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)ethanol;2-(2-hydroxypropanoyloxy)propanoic acid is sourced from PubChem (CID 170846238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).