propyl 2-(prop-2-enylamino)acetate

C8H15NO2 — CID 79276400

IUPACpropyl 2-(prop-2-enylamino)acetate
SMILESC=CCNCC(=O)OCCC
InChIInChI=1S/C8H15NO2/c1-3-5-9-7-8(10)11-6-4-2/h3,9H,1,4-7H2,2H3
InChIKeyGXIIWDUCQBQUAI-UHFFFAOYSA-N
MW157.21 g/mol
LogP0.72
Rot. Bonds6

About propyl 2-(prop-2-enylamino)acetate

propyl 2-(prop-2-enylamino)acetate (PubChem CID 79276400) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is propyl 2-(prop-2-enylamino)acetate.

Molecular Properties

Compound Namepropyl 2-(prop-2-enylamino)acetate
PubChem CID79276400
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Namepropyl 2-(prop-2-enylamino)acetate
SMILESC=CCNCC(=O)OCCC
InChIInChI=1S/C8H15NO2/c1-3-5-9-7-8(10)11-6-4-2/h3,9H,1,4-7H2,2H3
InChIKeyGXIIWDUCQBQUAI-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 propyl 2-(prop-2-enylamino)acetate?
The IUPAC name of propyl 2-(prop-2-enylamino)acetate (CID 79276400) is propyl 2-(prop-2-enylamino)acetate.
What is the SMILES notation for propyl 2-(prop-2-enylamino)acetate?
The canonical SMILES for propyl 2-(prop-2-enylamino)acetate is C=CCNCC(=O)OCCC.
What is the InChIKey of propyl 2-(prop-2-enylamino)acetate?
The InChIKey is GXIIWDUCQBQUAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-3-5-9-7-8(10)11-6-4-2/h3,9H,1,4-7H2,2H3.
What are the key properties of propyl 2-(prop-2-enylamino)acetate?
propyl 2-(prop-2-enylamino)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 propyl 2-(prop-2-enylamino)acetate is sourced from PubChem (CID 79276400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).