2-aminoethyl prop-2-enoate

C5H9NO2 — CID 6455702

IUPAC2-aminoethyl prop-2-enoate
SMILESC=CC(=O)OCCN
InChIInChI=1S/C5H9NO2/c1-2-5(7)8-4-3-6/h2H,1,3-4,6H2
InChIKeyUGIJCMNGQCUTPI-UHFFFAOYSA-N
MW115.13 g/mol
LogP-0.33
Rot. Bonds3

About 2-aminoethyl prop-2-enoate

2-aminoethyl prop-2-enoate (PubChem CID 6455702) has the molecular formula C5H9NO2 and a molecular weight of 115.13 g/mol. Its IUPAC name is 2-aminoethyl prop-2-enoate.

Molecular Properties

Compound Name2-aminoethyl prop-2-enoate
PubChem CID6455702
Molecular FormulaC5H9NO2
Molecular Weight115.13 g/mol
Exact Mass115.06
IUPAC Name2-aminoethyl prop-2-enoate
SMILESC=CC(=O)OCCN
InChIInChI=1S/C5H9NO2/c1-2-5(7)8-4-3-6/h2H,1,3-4,6H2
InChIKeyUGIJCMNGQCUTPI-UHFFFAOYSA-N
XLogP-0.33
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.13
LogP ≤ 5-0.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-aminoethyl prop-2-enoate?
The IUPAC name of 2-aminoethyl prop-2-enoate (CID 6455702) is 2-aminoethyl prop-2-enoate.
What is the SMILES notation for 2-aminoethyl prop-2-enoate?
The canonical SMILES for 2-aminoethyl prop-2-enoate is C=CC(=O)OCCN.
What is the InChIKey of 2-aminoethyl prop-2-enoate?
The InChIKey is UGIJCMNGQCUTPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO2/c1-2-5(7)8-4-3-6/h2H,1,3-4,6H2.
What are the key properties of 2-aminoethyl prop-2-enoate?
2-aminoethyl prop-2-enoate has a molecular weight of 115.13 g/mol, XLogP of -0.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoethyl prop-2-enoate is sourced from PubChem (CID 6455702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).