2-[bis(2-hydroxyethyl)amino]ethanol;2-methylprop-2-enoic acid

C10H21NO5 — CID 6455140

IUPAC2-[bis(2-hydroxyethyl)amino]ethanol;2-methylprop-2-enoic acid
SMILESC=C(C)C(=O)O.OCCN(CCO)CCO
InChIInChI=1S/C6H15NO3.C4H6O2/c8-4-1-7(2-5-9)3-6-10;1-3(2)4(5)6/h8-10H,1-6H2;1H2,2H3,(H,5,6)
InChIKeyWZXYIWMZCIFNRB-UHFFFAOYSA-N
MW235.28 g/mol
LogP-1.09
Rot. Bonds7

About 2-[bis(2-hydroxyethyl)amino]ethanol;2-methylprop-2-enoic acid

2-[bis(2-hydroxyethyl)amino]ethanol;2-methylprop-2-enoic acid (PubChem CID 6455140) has the molecular formula C10H21NO5 and a molecular weight of 235.28 g/mol. Its IUPAC name is 2-[bis(2-hydroxyethyl)amino]ethanol;2-methylprop-2-enoic acid.

Molecular Properties

Compound Name2-[bis(2-hydroxyethyl)amino]ethanol;2-methylprop-2-enoic acid
PubChem CID6455140
Molecular FormulaC10H21NO5
Molecular Weight235.28 g/mol
Exact Mass235.14
IUPAC Name2-[bis(2-hydroxyethyl)amino]ethanol;2-methylprop-2-enoic acid
SMILESC=C(C)C(=O)O.OCCN(CCO)CCO
InChIInChI=1S/C6H15NO3.C4H6O2/c8-4-1-7(2-5-9)3-6-10;1-3(2)4(5)6/h8-10H,1-6H2;1H2,2H3,(H,5,6)
InChIKeyWZXYIWMZCIFNRB-UHFFFAOYSA-N
XLogP-1.09
TPSA101.23 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 5-1.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[bis(2-hydroxyethyl)amino]ethanol;2-methylprop-2-enoic acid?
The IUPAC name of 2-[bis(2-hydroxyethyl)amino]ethanol;2-methylprop-2-enoic acid (CID 6455140) is 2-[bis(2-hydroxyethyl)amino]ethanol;2-methylprop-2-enoic acid.
What is the SMILES notation for 2-[bis(2-hydroxyethyl)amino]ethanol;2-methylprop-2-enoic acid?
The canonical SMILES for 2-[bis(2-hydroxyethyl)amino]ethanol;2-methylprop-2-enoic acid is C=C(C)C(=O)O.OCCN(CCO)CCO.
What is the InChIKey of 2-[bis(2-hydroxyethyl)amino]ethanol;2-methylprop-2-enoic acid?
The InChIKey is WZXYIWMZCIFNRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO3.C4H6O2/c8-4-1-7(2-5-9)3-6-10;1-3(2)4(5)6/h8-10H,1-6H2;1H2,2H3,(H,5,6).
What are the key properties of 2-[bis(2-hydroxyethyl)amino]ethanol;2-methylprop-2-enoic acid?
2-[bis(2-hydroxyethyl)amino]ethanol;2-methylprop-2-enoic acid has a molecular weight of 235.28 g/mol, XLogP of -1.09, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(2-hydroxyethyl)amino]ethanol;2-methylprop-2-enoic acid is sourced from PubChem (CID 6455140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).