2-(2-hydroxyethylamino)ethyl prop-2-enoate

C7H13NO3 — CID 57276811

IUPAC2-(2-hydroxyethylamino)ethyl prop-2-enoate
SMILESC=CC(=O)OCCNCCO
InChIInChI=1S/C7H13NO3/c1-2-7(10)11-6-4-8-3-5-9/h2,8-9H,1,3-6H2
InChIKeyQDUWBTQHWXECAY-UHFFFAOYSA-N
MW159.19 g/mol
LogP-0.70
Rot. Bonds6

About 2-(2-hydroxyethylamino)ethyl prop-2-enoate

2-(2-hydroxyethylamino)ethyl prop-2-enoate (PubChem CID 57276811) has the molecular formula C7H13NO3 and a molecular weight of 159.19 g/mol. Its IUPAC name is 2-(2-hydroxyethylamino)ethyl prop-2-enoate.

Molecular Properties

Compound Name2-(2-hydroxyethylamino)ethyl prop-2-enoate
PubChem CID57276811
Molecular FormulaC7H13NO3
Molecular Weight159.19 g/mol
Exact Mass159.09
IUPAC Name2-(2-hydroxyethylamino)ethyl prop-2-enoate
SMILESC=CC(=O)OCCNCCO
InChIInChI=1S/C7H13NO3/c1-2-7(10)11-6-4-8-3-5-9/h2,8-9H,1,3-6H2
InChIKeyQDUWBTQHWXECAY-UHFFFAOYSA-N
XLogP-0.70
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 5-0.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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)ethyl prop-2-enoate?
The IUPAC name of 2-(2-hydroxyethylamino)ethyl prop-2-enoate (CID 57276811) is 2-(2-hydroxyethylamino)ethyl prop-2-enoate.
What is the SMILES notation for 2-(2-hydroxyethylamino)ethyl prop-2-enoate?
The canonical SMILES for 2-(2-hydroxyethylamino)ethyl prop-2-enoate is C=CC(=O)OCCNCCO.
What is the InChIKey of 2-(2-hydroxyethylamino)ethyl prop-2-enoate?
The InChIKey is QDUWBTQHWXECAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO3/c1-2-7(10)11-6-4-8-3-5-9/h2,8-9H,1,3-6H2.
What are the key properties of 2-(2-hydroxyethylamino)ethyl prop-2-enoate?
2-(2-hydroxyethylamino)ethyl prop-2-enoate has a molecular weight of 159.19 g/mol, XLogP of -0.70, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethylamino)ethyl prop-2-enoate is sourced from PubChem (CID 57276811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).