2-[2-[(2-hydroxyacetyl)amino]ethoxy]ethyl propanoate

C9H17NO5 — CID 129308352

IUPAC2-[2-[(2-hydroxyacetyl)amino]ethoxy]ethyl propanoate
SMILESCCC(=O)OCCOCCNC(=O)CO
InChIInChI=1S/C9H17NO5/c1-2-9(13)15-6-5-14-4-3-10-8(12)7-11/h11H,2-7H2,1H3,(H,10,12)
InChIKeyJDMYVMMRMMOEHT-UHFFFAOYSA-N
MW219.24 g/mol
LogP-0.94
Rot. Bonds8

About 2-[2-[(2-hydroxyacetyl)amino]ethoxy]ethyl propanoate

2-[2-[(2-hydroxyacetyl)amino]ethoxy]ethyl propanoate (PubChem CID 129308352) has the molecular formula C9H17NO5 and a molecular weight of 219.24 g/mol. Its IUPAC name is 2-[2-[(2-hydroxyacetyl)amino]ethoxy]ethyl propanoate.

Molecular Properties

Compound Name2-[2-[(2-hydroxyacetyl)amino]ethoxy]ethyl propanoate
PubChem CID129308352
Molecular FormulaC9H17NO5
Molecular Weight219.24 g/mol
Exact Mass219.11
IUPAC Name2-[2-[(2-hydroxyacetyl)amino]ethoxy]ethyl propanoate
SMILESCCC(=O)OCCOCCNC(=O)CO
InChIInChI=1S/C9H17NO5/c1-2-9(13)15-6-5-14-4-3-10-8(12)7-11/h11H,2-7H2,1H3,(H,10,12)
InChIKeyJDMYVMMRMMOEHT-UHFFFAOYSA-N
XLogP-0.94
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 5-0.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-hydroxyacetyl)amino]ethoxy]ethyl propanoate?
The IUPAC name of 2-[2-[(2-hydroxyacetyl)amino]ethoxy]ethyl propanoate (CID 129308352) is 2-[2-[(2-hydroxyacetyl)amino]ethoxy]ethyl propanoate.
What is the SMILES notation for 2-[2-[(2-hydroxyacetyl)amino]ethoxy]ethyl propanoate?
The canonical SMILES for 2-[2-[(2-hydroxyacetyl)amino]ethoxy]ethyl propanoate is CCC(=O)OCCOCCNC(=O)CO.
What is the InChIKey of 2-[2-[(2-hydroxyacetyl)amino]ethoxy]ethyl propanoate?
The InChIKey is JDMYVMMRMMOEHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO5/c1-2-9(13)15-6-5-14-4-3-10-8(12)7-11/h11H,2-7H2,1H3,(H,10,12).
What are the key properties of 2-[2-[(2-hydroxyacetyl)amino]ethoxy]ethyl propanoate?
2-[2-[(2-hydroxyacetyl)amino]ethoxy]ethyl propanoate has a molecular weight of 219.24 g/mol, XLogP of -0.94, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-hydroxyacetyl)amino]ethoxy]ethyl propanoate is sourced from PubChem (CID 129308352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).