methyl 2-[[2-hydroxy-3-(2-propan-2-yloxyethoxy)propyl]amino]acetate

C11H23NO5 — CID 60902671

IUPACmethyl 2-[[2-hydroxy-3-(2-propan-2-yloxyethoxy)propyl]amino]acetate
SMILESCOC(=O)CNCC(O)COCCOC(C)C
InChIInChI=1S/C11H23NO5/c1-9(2)17-5-4-16-8-10(13)6-12-7-11(14)15-3/h9-10,12-13H,4-8H2,1-3H3
InChIKeyUDZNFSZEHWYIJJ-UHFFFAOYSA-N
MW249.31 g/mol
LogP-0.45
Rot. Bonds10

About methyl 2-[[2-hydroxy-3-(2-propan-2-yloxyethoxy)propyl]amino]acetate

methyl 2-[[2-hydroxy-3-(2-propan-2-yloxyethoxy)propyl]amino]acetate (PubChem CID 60902671) has the molecular formula C11H23NO5 and a molecular weight of 249.31 g/mol. Its IUPAC name is methyl 2-[[2-hydroxy-3-(2-propan-2-yloxyethoxy)propyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[2-hydroxy-3-(2-propan-2-yloxyethoxy)propyl]amino]acetate
PubChem CID60902671
Molecular FormulaC11H23NO5
Molecular Weight249.31 g/mol
Exact Mass249.16
IUPAC Namemethyl 2-[[2-hydroxy-3-(2-propan-2-yloxyethoxy)propyl]amino]acetate
SMILESCOC(=O)CNCC(O)COCCOC(C)C
InChIInChI=1S/C11H23NO5/c1-9(2)17-5-4-16-8-10(13)6-12-7-11(14)15-3/h9-10,12-13H,4-8H2,1-3H3
InChIKeyUDZNFSZEHWYIJJ-UHFFFAOYSA-N
XLogP-0.45
TPSA77.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 5-0.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 methyl 2-[[2-hydroxy-3-(2-propan-2-yloxyethoxy)propyl]amino]acetate?
The IUPAC name of methyl 2-[[2-hydroxy-3-(2-propan-2-yloxyethoxy)propyl]amino]acetate (CID 60902671) is methyl 2-[[2-hydroxy-3-(2-propan-2-yloxyethoxy)propyl]amino]acetate.
What is the SMILES notation for methyl 2-[[2-hydroxy-3-(2-propan-2-yloxyethoxy)propyl]amino]acetate?
The canonical SMILES for methyl 2-[[2-hydroxy-3-(2-propan-2-yloxyethoxy)propyl]amino]acetate is COC(=O)CNCC(O)COCCOC(C)C.
What is the InChIKey of methyl 2-[[2-hydroxy-3-(2-propan-2-yloxyethoxy)propyl]amino]acetate?
The InChIKey is UDZNFSZEHWYIJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO5/c1-9(2)17-5-4-16-8-10(13)6-12-7-11(14)15-3/h9-10,12-13H,4-8H2,1-3H3.
What are the key properties of methyl 2-[[2-hydroxy-3-(2-propan-2-yloxyethoxy)propyl]amino]acetate?
methyl 2-[[2-hydroxy-3-(2-propan-2-yloxyethoxy)propyl]amino]acetate has a molecular weight of 249.31 g/mol, XLogP of -0.45, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-hydroxy-3-(2-propan-2-yloxyethoxy)propyl]amino]acetate is sourced from PubChem (CID 60902671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).