2-[bis(2-hydroxyethyl)amino]ethanol;methyl 2-oxopropanoate

C10H21NO6 — CID 175527812

IUPAC2-[bis(2-hydroxyethyl)amino]ethanol;methyl 2-oxopropanoate
SMILESCOC(=O)C(C)=O.OCCN(CCO)CCO
InChIInChI=1S/C6H15NO3.C4H6O3/c8-4-1-7(2-5-9)3-6-10;1-3(5)4(6)7-2/h8-10H,1-6H2;1-2H3
InChIKeyQNCYICZLGAQUKL-UHFFFAOYSA-N
MW251.28 g/mol
LogP-1.99
Rot. Bonds7

About 2-[bis(2-hydroxyethyl)amino]ethanol;methyl 2-oxopropanoate

2-[bis(2-hydroxyethyl)amino]ethanol;methyl 2-oxopropanoate (PubChem CID 175527812) has the molecular formula C10H21NO6 and a molecular weight of 251.28 g/mol. Its IUPAC name is 2-[bis(2-hydroxyethyl)amino]ethanol;methyl 2-oxopropanoate.

Molecular Properties

Compound Name2-[bis(2-hydroxyethyl)amino]ethanol;methyl 2-oxopropanoate
PubChem CID175527812
Molecular FormulaC10H21NO6
Molecular Weight251.28 g/mol
Exact Mass251.14
IUPAC Name2-[bis(2-hydroxyethyl)amino]ethanol;methyl 2-oxopropanoate
SMILESCOC(=O)C(C)=O.OCCN(CCO)CCO
InChIInChI=1S/C6H15NO3.C4H6O3/c8-4-1-7(2-5-9)3-6-10;1-3(5)4(6)7-2/h8-10H,1-6H2;1-2H3
InChIKeyQNCYICZLGAQUKL-UHFFFAOYSA-N
XLogP-1.99
TPSA107.30 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 5-1.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

Triethanolamine lactate
CID 159890
Choline lactate
CID 10313496
Pyruvate-choline
CID 9855704
2-Hydroxyethyl-trimethylammonium L-(+)-lactate
CID 16218233
Diethyl(2-hydroxyethyl)ammonium lactate
CID 44154174
2-(Diethylamino)ethanol;2-(2-hydroxypropanoyloxy)propanoic acid
CID 170846238
2-Oxopropyl N,N-bis(2-hydroxyethyl)-beta-alaninate
CID 21872611
Tris(1-hydroxyethyl)-[3-(2-oxobutanoyloxy)propyl]azanium
CID 57034423
2-(Diethylamino)ethyl 2-oxopropanoate
CID 57301214
Bis(2-hydroxyethyl)-dimethylazanium;2-hydroxypropanoic acid
CID 57483599
Actinium;2-oxopropyl 3-[bis(2-hydroxyethyl)amino]propanoate
CID 60059698
2-[bis(2-hydroxyethyl)amino]ethanol;(2S)-2-hydroxypropanoic acid
CID 73416324

Frequently Asked Questions

What is the IUPAC name of 2-[bis(2-hydroxyethyl)amino]ethanol;methyl 2-oxopropanoate?
The IUPAC name of 2-[bis(2-hydroxyethyl)amino]ethanol;methyl 2-oxopropanoate (CID 175527812) is 2-[bis(2-hydroxyethyl)amino]ethanol;methyl 2-oxopropanoate.
What is the SMILES notation for 2-[bis(2-hydroxyethyl)amino]ethanol;methyl 2-oxopropanoate?
The canonical SMILES for 2-[bis(2-hydroxyethyl)amino]ethanol;methyl 2-oxopropanoate is COC(=O)C(C)=O.OCCN(CCO)CCO.
What is the InChIKey of 2-[bis(2-hydroxyethyl)amino]ethanol;methyl 2-oxopropanoate?
The InChIKey is QNCYICZLGAQUKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO3.C4H6O3/c8-4-1-7(2-5-9)3-6-10;1-3(5)4(6)7-2/h8-10H,1-6H2;1-2H3.
What are the key properties of 2-[bis(2-hydroxyethyl)amino]ethanol;methyl 2-oxopropanoate?
2-[bis(2-hydroxyethyl)amino]ethanol;methyl 2-oxopropanoate has a molecular weight of 251.28 g/mol, XLogP of -1.99, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(2-hydroxyethyl)amino]ethanol;methyl 2-oxopropanoate is sourced from PubChem (CID 175527812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).