ethyl (E)-3-(2-hydroxyethylamino)prop-2-enoate

C7H13NO3 — CID 14359572

IUPACethyl (E)-3-(2-hydroxyethylamino)prop-2-enoate
SMILESCCOC(=O)/C=C/NCCO
InChIInChI=1S/C7H13NO3/c1-2-11-7(10)3-4-8-5-6-9/h3-4,8-9H,2,5-6H2,1H3/b4-3+
InChIKeyLQTPRJOJJKDUNR-ONEGZZNKSA-N
MW159.19 g/mol
LogP-0.35
Rot. Bonds5

About ethyl (E)-3-(2-hydroxyethylamino)prop-2-enoate

ethyl (E)-3-(2-hydroxyethylamino)prop-2-enoate (PubChem CID 14359572) has the molecular formula C7H13NO3 and a molecular weight of 159.19 g/mol. Its IUPAC name is ethyl (E)-3-(2-hydroxyethylamino)prop-2-enoate.

Molecular Properties

Compound Nameethyl (E)-3-(2-hydroxyethylamino)prop-2-enoate
PubChem CID14359572
Molecular FormulaC7H13NO3
Molecular Weight159.19 g/mol
Exact Mass159.09
IUPAC Nameethyl (E)-3-(2-hydroxyethylamino)prop-2-enoate
SMILESCCOC(=O)/C=C/NCCO
InChIInChI=1S/C7H13NO3/c1-2-11-7(10)3-4-8-5-6-9/h3-4,8-9H,2,5-6H2,1H3/b4-3+
InChIKeyLQTPRJOJJKDUNR-ONEGZZNKSA-N
XLogP-0.35
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 5-0.35
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 ethyl (E)-3-(2-hydroxyethylamino)prop-2-enoate?
The IUPAC name of ethyl (E)-3-(2-hydroxyethylamino)prop-2-enoate (CID 14359572) is ethyl (E)-3-(2-hydroxyethylamino)prop-2-enoate.
What is the SMILES notation for ethyl (E)-3-(2-hydroxyethylamino)prop-2-enoate?
The canonical SMILES for ethyl (E)-3-(2-hydroxyethylamino)prop-2-enoate is CCOC(=O)/C=C/NCCO.
What is the InChIKey of ethyl (E)-3-(2-hydroxyethylamino)prop-2-enoate?
The InChIKey is LQTPRJOJJKDUNR-ONEGZZNKSA-N. The full InChI is InChI=1S/C7H13NO3/c1-2-11-7(10)3-4-8-5-6-9/h3-4,8-9H,2,5-6H2,1H3/b4-3+.
What are the key properties of ethyl (E)-3-(2-hydroxyethylamino)prop-2-enoate?
ethyl (E)-3-(2-hydroxyethylamino)prop-2-enoate has a molecular weight of 159.19 g/mol, XLogP of -0.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-3-(2-hydroxyethylamino)prop-2-enoate is sourced from PubChem (CID 14359572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).