prop-2-enyl 2-(propylamino)acetate

C8H15NO2 — CID 59400803

IUPACprop-2-enyl 2-(propylamino)acetate
SMILESC=CCOC(=O)CNCCC
InChIInChI=1S/C8H15NO2/c1-3-5-9-7-8(10)11-6-4-2/h4,9H,2-3,5-7H2,1H3
InChIKeyJXBHSNGEAZTTIV-UHFFFAOYSA-N
MW157.21 g/mol
LogP0.72
Rot. Bonds6

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

prop-2-enyl 2-(propylamino)acetate (PubChem CID 59400803) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is prop-2-enyl 2-(propylamino)acetate.

Molecular Properties

Compound Nameprop-2-enyl 2-(propylamino)acetate
PubChem CID59400803
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Nameprop-2-enyl 2-(propylamino)acetate
SMILESC=CCOC(=O)CNCCC
InChIInChI=1S/C8H15NO2/c1-3-5-9-7-8(10)11-6-4-2/h4,9H,2-3,5-7H2,1H3
InChIKeyJXBHSNGEAZTTIV-UHFFFAOYSA-N
XLogP0.72
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 2-(propylamino)acetate?
The IUPAC name of prop-2-enyl 2-(propylamino)acetate (CID 59400803) is prop-2-enyl 2-(propylamino)acetate.
What is the SMILES notation for prop-2-enyl 2-(propylamino)acetate?
The canonical SMILES for prop-2-enyl 2-(propylamino)acetate is C=CCOC(=O)CNCCC.
What is the InChIKey of prop-2-enyl 2-(propylamino)acetate?
The InChIKey is JXBHSNGEAZTTIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-3-5-9-7-8(10)11-6-4-2/h4,9H,2-3,5-7H2,1H3.
What are the key properties of prop-2-enyl 2-(propylamino)acetate?
prop-2-enyl 2-(propylamino)acetate has a molecular weight of 157.21 g/mol, XLogP of 0.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 2-(propylamino)acetate is sourced from PubChem (CID 59400803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).