prop-2-enyl 2-(2-hydroxyethylamino)acetate

C7H13NO3 — CID 87065185

IUPACprop-2-enyl 2-(2-hydroxyethylamino)acetate
SMILESC=CCOC(=O)CNCCO
InChIInChI=1S/C7H13NO3/c1-2-5-11-7(10)6-8-3-4-9/h2,8-9H,1,3-6H2
InChIKeyLVDFMVORNATREH-UHFFFAOYSA-N
MW159.18 g/mol
LogP-0.70
Rot. Bonds6

About prop-2-enyl 2-(2-hydroxyethylamino)acetate

prop-2-enyl 2-(2-hydroxyethylamino)acetate (PubChem CID 87065185) has the molecular formula C7H13NO3 and a molecular weight of 159.18 g/mol. Its IUPAC name is prop-2-enyl 2-(2-hydroxyethylamino)acetate.

Molecular Properties

Compound Nameprop-2-enyl 2-(2-hydroxyethylamino)acetate
PubChem CID87065185
Molecular FormulaC7H13NO3
Molecular Weight159.18 g/mol
Exact Mass159.09
IUPAC Nameprop-2-enyl 2-(2-hydroxyethylamino)acetate
SMILESC=CCOC(=O)CNCCO
InChIInChI=1S/C7H13NO3/c1-2-5-11-7(10)6-8-3-4-9/h2,8-9H,1,3-6H2
InChIKeyLVDFMVORNATREH-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 ≤ 500159.18
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': 'isolated_alkene', 'substructure': 'N/A'}

Analyze prop-2-enyl 2-(2-hydroxyethylamino)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 2-(2-hydroxyethylamino)acetate?
The IUPAC name of prop-2-enyl 2-(2-hydroxyethylamino)acetate (CID 87065185) is prop-2-enyl 2-(2-hydroxyethylamino)acetate.
What is the SMILES notation for prop-2-enyl 2-(2-hydroxyethylamino)acetate?
The canonical SMILES for prop-2-enyl 2-(2-hydroxyethylamino)acetate is C=CCOC(=O)CNCCO.
What is the InChIKey of prop-2-enyl 2-(2-hydroxyethylamino)acetate?
The InChIKey is LVDFMVORNATREH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO3/c1-2-5-11-7(10)6-8-3-4-9/h2,8-9H,1,3-6H2.
What are the key properties of prop-2-enyl 2-(2-hydroxyethylamino)acetate?
prop-2-enyl 2-(2-hydroxyethylamino)acetate has a molecular weight of 159.18 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 prop-2-enyl 2-(2-hydroxyethylamino)acetate is sourced from PubChem (CID 87065185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).