ethyl 5-amino-3-ethyl-2-(2-hydroxyethyl)pent-2-enoate

C11H21NO3 — CID 57041627

IUPACethyl 5-amino-3-ethyl-2-(2-hydroxyethyl)pent-2-enoate
SMILESCCOC(=O)C(CCO)=C(CC)CCN
InChIInChI=1S/C11H21NO3/c1-3-9(5-7-12)10(6-8-13)11(14)15-4-2/h13H,3-8,12H2,1-2H3
InChIKeyDBQHQIRMBNQODE-UHFFFAOYSA-N
MW215.29 g/mol
LogP0.99
Rot. Bonds7

About ethyl 5-amino-3-ethyl-2-(2-hydroxyethyl)pent-2-enoate

ethyl 5-amino-3-ethyl-2-(2-hydroxyethyl)pent-2-enoate (PubChem CID 57041627) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is ethyl 5-amino-3-ethyl-2-(2-hydroxyethyl)pent-2-enoate.

Molecular Properties

Compound Nameethyl 5-amino-3-ethyl-2-(2-hydroxyethyl)pent-2-enoate
PubChem CID57041627
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Nameethyl 5-amino-3-ethyl-2-(2-hydroxyethyl)pent-2-enoate
SMILESCCOC(=O)C(CCO)=C(CC)CCN
InChIInChI=1S/C11H21NO3/c1-3-9(5-7-12)10(6-8-13)11(14)15-4-2/h13H,3-8,12H2,1-2H3
InChIKeyDBQHQIRMBNQODE-UHFFFAOYSA-N
XLogP0.99
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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potassium 2-ethoxy-2-oxoacetate
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Frequently Asked Questions

What is the IUPAC name of ethyl 5-amino-3-ethyl-2-(2-hydroxyethyl)pent-2-enoate?
The IUPAC name of ethyl 5-amino-3-ethyl-2-(2-hydroxyethyl)pent-2-enoate (CID 57041627) is ethyl 5-amino-3-ethyl-2-(2-hydroxyethyl)pent-2-enoate.
What is the SMILES notation for ethyl 5-amino-3-ethyl-2-(2-hydroxyethyl)pent-2-enoate?
The canonical SMILES for ethyl 5-amino-3-ethyl-2-(2-hydroxyethyl)pent-2-enoate is CCOC(=O)C(CCO)=C(CC)CCN.
What is the InChIKey of ethyl 5-amino-3-ethyl-2-(2-hydroxyethyl)pent-2-enoate?
The InChIKey is DBQHQIRMBNQODE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-3-9(5-7-12)10(6-8-13)11(14)15-4-2/h13H,3-8,12H2,1-2H3.
What are the key properties of ethyl 5-amino-3-ethyl-2-(2-hydroxyethyl)pent-2-enoate?
ethyl 5-amino-3-ethyl-2-(2-hydroxyethyl)pent-2-enoate has a molecular weight of 215.29 g/mol, XLogP of 0.99, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-amino-3-ethyl-2-(2-hydroxyethyl)pent-2-enoate is sourced from PubChem (CID 57041627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).