2-(2-hydroxyethylamino)ethanol;methyl prop-2-enoate

C8H17NO4 — CID 174702275

IUPAC2-(2-hydroxyethylamino)ethanol;methyl prop-2-enoate
SMILESC=CC(=O)OC.OCCNCCO
InChIInChI=1S/C4H11NO2.C4H6O2/c6-3-1-5-2-4-7;1-3-4(5)6-2/h5-7H,1-4H2;3H,1H2,2H3
InChIKeyJBMKHRUPZRDKOC-UHFFFAOYSA-N
MW191.23 g/mol
LogP-1.09
Rot. Bonds5

About 2-(2-hydroxyethylamino)ethanol;methyl prop-2-enoate

2-(2-hydroxyethylamino)ethanol;methyl prop-2-enoate (PubChem CID 174702275) has the molecular formula C8H17NO4 and a molecular weight of 191.23 g/mol. Its IUPAC name is 2-(2-hydroxyethylamino)ethanol;methyl prop-2-enoate.

Molecular Properties

Compound Name2-(2-hydroxyethylamino)ethanol;methyl prop-2-enoate
PubChem CID174702275
Molecular FormulaC8H17NO4
Molecular Weight191.23 g/mol
Exact Mass191.12
IUPAC Name2-(2-hydroxyethylamino)ethanol;methyl prop-2-enoate
SMILESC=CC(=O)OC.OCCNCCO
InChIInChI=1S/C4H11NO2.C4H6O2/c6-3-1-5-2-4-7;1-3-4(5)6-2/h5-7H,1-4H2;3H,1H2,2H3
InChIKeyJBMKHRUPZRDKOC-UHFFFAOYSA-N
XLogP-1.09
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 5-1.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethylamino)ethanol;methyl prop-2-enoate?
The IUPAC name of 2-(2-hydroxyethylamino)ethanol;methyl prop-2-enoate (CID 174702275) is 2-(2-hydroxyethylamino)ethanol;methyl prop-2-enoate.
What is the SMILES notation for 2-(2-hydroxyethylamino)ethanol;methyl prop-2-enoate?
The canonical SMILES for 2-(2-hydroxyethylamino)ethanol;methyl prop-2-enoate is C=CC(=O)OC.OCCNCCO.
What is the InChIKey of 2-(2-hydroxyethylamino)ethanol;methyl prop-2-enoate?
The InChIKey is JBMKHRUPZRDKOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NO2.C4H6O2/c6-3-1-5-2-4-7;1-3-4(5)6-2/h5-7H,1-4H2;3H,1H2,2H3.
What are the key properties of 2-(2-hydroxyethylamino)ethanol;methyl prop-2-enoate?
2-(2-hydroxyethylamino)ethanol;methyl prop-2-enoate has a molecular weight of 191.23 g/mol, XLogP of -1.09, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethylamino)ethanol;methyl prop-2-enoate is sourced from PubChem (CID 174702275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).