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

C10H21NO4 — CID 87094318

IUPAC2-[ethyl(2-hydroxyethyl)amino]ethanol;2-methylprop-2-enoic acid
SMILESC=C(C)C(=O)O.CCN(CCO)CCO
InChIInChI=1S/C6H15NO2.C4H6O2/c1-2-7(3-5-8)4-6-9;1-3(2)4(5)6/h8-9H,2-6H2,1H3;1H2,2H3,(H,5,6)
InChIKeyXUTFKAQTQRBNPI-UHFFFAOYSA-N
MW219.28 g/mol
LogP-0.06
Rot. Bonds6

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

2-[ethyl(2-hydroxyethyl)amino]ethanol;2-methylprop-2-enoic acid (PubChem CID 87094318) has the molecular formula C10H21NO4 and a molecular weight of 219.28 g/mol. Its IUPAC name is 2-[ethyl(2-hydroxyethyl)amino]ethanol;2-methylprop-2-enoic acid.

Molecular Properties

Compound Name2-[ethyl(2-hydroxyethyl)amino]ethanol;2-methylprop-2-enoic acid
PubChem CID87094318
Molecular FormulaC10H21NO4
Molecular Weight219.28 g/mol
Exact Mass219.15
IUPAC Name2-[ethyl(2-hydroxyethyl)amino]ethanol;2-methylprop-2-enoic acid
SMILESC=C(C)C(=O)O.CCN(CCO)CCO
InChIInChI=1S/C6H15NO2.C4H6O2/c1-2-7(3-5-8)4-6-9;1-3(2)4(5)6/h8-9H,2-6H2,1H3;1H2,2H3,(H,5,6)
InChIKeyXUTFKAQTQRBNPI-UHFFFAOYSA-N
XLogP-0.06
TPSA81.00 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 5-0.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[ethyl(2-hydroxyethyl)amino]propyl 2-methylprop-2-enoate
CID 87217880
2-bromoethanol;2-methylprop-2-enoic acid
CID 163915230
bis(ethane-1,2-diol);ethene;2-methylprop-2-enoic acid
CID 173395438
2-[2-(diethylamino)ethyl-ethylamino]ethanol
CID 18435173
2-[2-[2-[bis(2-hydroxyethyl)amino]ethyl-ethylamino]ethyl-(2-hydroxyethyl)amino]ethanol
CID 139832318
ethane;bis(2-methylprop-2-enoic acid)
CID 87619293
2-[ethyl(2-hydroxyethyl)amino]ethanol;phosphoric acid
CID 19082538
2-[ethyl(2-hydroxyethyl)amino]ethanol;sulfuric acid
CID 19968816
2-[ethyl(2-hydroxyethyl)amino]ethanol;2-[ethyl(propyl)amino]ethanol
CID 161297591
ethanol;methanol;2-methylprop-2-enoic acid;titanium
CID 174721587
CID 173413432
CID 173413432
bis(2-methylprop-2-enoic acid);2,2,3,3-tetrafluorobutane-1,4-diol
CID 53446164

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(2-hydroxyethyl)amino]ethanol;2-methylprop-2-enoic acid?
The IUPAC name of 2-[ethyl(2-hydroxyethyl)amino]ethanol;2-methylprop-2-enoic acid (CID 87094318) is 2-[ethyl(2-hydroxyethyl)amino]ethanol;2-methylprop-2-enoic acid.
What is the SMILES notation for 2-[ethyl(2-hydroxyethyl)amino]ethanol;2-methylprop-2-enoic acid?
The canonical SMILES for 2-[ethyl(2-hydroxyethyl)amino]ethanol;2-methylprop-2-enoic acid is C=C(C)C(=O)O.CCN(CCO)CCO.
What is the InChIKey of 2-[ethyl(2-hydroxyethyl)amino]ethanol;2-methylprop-2-enoic acid?
The InChIKey is XUTFKAQTQRBNPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO2.C4H6O2/c1-2-7(3-5-8)4-6-9;1-3(2)4(5)6/h8-9H,2-6H2,1H3;1H2,2H3,(H,5,6).
What are the key properties of 2-[ethyl(2-hydroxyethyl)amino]ethanol;2-methylprop-2-enoic acid?
2-[ethyl(2-hydroxyethyl)amino]ethanol;2-methylprop-2-enoic acid has a molecular weight of 219.28 g/mol, XLogP of -0.06, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(2-hydroxyethyl)amino]ethanol;2-methylprop-2-enoic acid is sourced from PubChem (CID 87094318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).