2-(ethenoxymethylamino)ethyl 2,2-bis(hydroxymethyl)butanoate

C11H21NO5 — CID 20751105

IUPAC2-(ethenoxymethylamino)ethyl 2,2-bis(hydroxymethyl)butanoate
SMILESC=COCNCCOC(=O)C(CC)(CO)CO
InChIInChI=1S/C11H21NO5/c1-3-11(7-13,8-14)10(15)17-6-5-12-9-16-4-2/h4,12-14H,2-3,5-9H2,1H3
InChIKeyMCIRJTYFWJYXEM-UHFFFAOYSA-N
MW247.29 g/mol
LogP-0.38
Rot. Bonds10

About 2-(ethenoxymethylamino)ethyl 2,2-bis(hydroxymethyl)butanoate

2-(ethenoxymethylamino)ethyl 2,2-bis(hydroxymethyl)butanoate (PubChem CID 20751105) has the molecular formula C11H21NO5 and a molecular weight of 247.29 g/mol. Its IUPAC name is 2-(ethenoxymethylamino)ethyl 2,2-bis(hydroxymethyl)butanoate.

Molecular Properties

Compound Name2-(ethenoxymethylamino)ethyl 2,2-bis(hydroxymethyl)butanoate
PubChem CID20751105
Molecular FormulaC11H21NO5
Molecular Weight247.29 g/mol
Exact Mass247.14
IUPAC Name2-(ethenoxymethylamino)ethyl 2,2-bis(hydroxymethyl)butanoate
SMILESC=COCNCCOC(=O)C(CC)(CO)CO
InChIInChI=1S/C11H21NO5/c1-3-11(7-13,8-14)10(15)17-6-5-12-9-16-4-2/h4,12-14H,2-3,5-9H2,1H3
InChIKeyMCIRJTYFWJYXEM-UHFFFAOYSA-N
XLogP-0.38
TPSA88.02 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 5-0.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 2-(ethenoxymethylamino)ethyl 2,2-bis(hydroxymethyl)butanoate with MolForge

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

Launch Full Analysis

Related Compounds

2-(Ethenoxymethylamino)ethyl 2,2-dimethylbutanoate
CID 21049886
3-[2-(2,2-Dimethylbutanoyloxy)ethylcarbamoyloxy]propanoic acid
CID 57583552
[3-Oxo-3-[2-(tritiooxycarbonylamino)ethoxy]propyl] 2,2-dimethylbutanoate
CID 58226179

Frequently Asked Questions

What is the IUPAC name of 2-(ethenoxymethylamino)ethyl 2,2-bis(hydroxymethyl)butanoate?
The IUPAC name of 2-(ethenoxymethylamino)ethyl 2,2-bis(hydroxymethyl)butanoate (CID 20751105) is 2-(ethenoxymethylamino)ethyl 2,2-bis(hydroxymethyl)butanoate.
What is the SMILES notation for 2-(ethenoxymethylamino)ethyl 2,2-bis(hydroxymethyl)butanoate?
The canonical SMILES for 2-(ethenoxymethylamino)ethyl 2,2-bis(hydroxymethyl)butanoate is C=COCNCCOC(=O)C(CC)(CO)CO.
What is the InChIKey of 2-(ethenoxymethylamino)ethyl 2,2-bis(hydroxymethyl)butanoate?
The InChIKey is MCIRJTYFWJYXEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO5/c1-3-11(7-13,8-14)10(15)17-6-5-12-9-16-4-2/h4,12-14H,2-3,5-9H2,1H3.
What are the key properties of 2-(ethenoxymethylamino)ethyl 2,2-bis(hydroxymethyl)butanoate?
2-(ethenoxymethylamino)ethyl 2,2-bis(hydroxymethyl)butanoate has a molecular weight of 247.29 g/mol, XLogP of -0.38, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethenoxymethylamino)ethyl 2,2-bis(hydroxymethyl)butanoate is sourced from PubChem (CID 20751105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).