2-[formyl-[2-(methoxymethoxy)ethyl]amino]ethyl 2-methoxyacetate

C10H19NO6 — CID 121263922

IUPAC2-[formyl-[2-(methoxymethoxy)ethyl]amino]ethyl 2-methoxyacetate
SMILESCOCOCCN(C=O)CCOC(=O)COC
InChIInChI=1S/C10H19NO6/c1-14-7-10(13)17-6-4-11(8-12)3-5-16-9-15-2/h8H,3-7,9H2,1-2H3
InChIKeyIQAGBZSRVTZSCN-UHFFFAOYSA-N
MW249.26 g/mol
LogP-0.75
Rot. Bonds11

About 2-[formyl-[2-(methoxymethoxy)ethyl]amino]ethyl 2-methoxyacetate

2-[formyl-[2-(methoxymethoxy)ethyl]amino]ethyl 2-methoxyacetate (PubChem CID 121263922) has the molecular formula C10H19NO6 and a molecular weight of 249.26 g/mol. Its IUPAC name is 2-[formyl-[2-(methoxymethoxy)ethyl]amino]ethyl 2-methoxyacetate.

Molecular Properties

Compound Name2-[formyl-[2-(methoxymethoxy)ethyl]amino]ethyl 2-methoxyacetate
PubChem CID121263922
Molecular FormulaC10H19NO6
Molecular Weight249.26 g/mol
Exact Mass249.12
IUPAC Name2-[formyl-[2-(methoxymethoxy)ethyl]amino]ethyl 2-methoxyacetate
SMILESCOCOCCN(C=O)CCOC(=O)COC
InChIInChI=1S/C10H19NO6/c1-14-7-10(13)17-6-4-11(8-12)3-5-16-9-15-2/h8H,3-7,9H2,1-2H3
InChIKeyIQAGBZSRVTZSCN-UHFFFAOYSA-N
XLogP-0.75
TPSA74.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.26
LogP ≤ 5-0.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[formyl(2-propanoyloxyethyl)amino]ethyl 2,2-dimethylpropanoate
CID 130383482
2-[formyl-[2-(2-methylprop-2-enoyloxy)ethyl]amino]ethyl 2-methylprop-2-enoate
CID 87157712
[2-[2-(methoxymethoxy)acetyl]oxyacetyl]oxidanium
CID 23560431
methyl 2-(methoxymethoxy)acetate
CID 11018922
N-(2-methoxyethyl)-N-propylformamide
CID 54522950
1,2-dimethoxyethane;methyl 2-methoxyacetate
CID 159708370
2-(methylamino)ethyl 2-methoxyacetate
CID 23093561
ethyl 2-[bis[2-(2-ethoxy-2-oxoethoxy)ethyl]amino]acetate
CID 102349258
3-oxopentyl 2-methoxyacetate
CID 59946471
2-(methoxymethoxy)ethyl 3-(cyanomethylamino)propanoate
CID 150004969
CID 172843337
CID 172843337
(3-methoxy-3-methylbutyl) 2-methoxyacetate
CID 44602909

Frequently Asked Questions

What is the IUPAC name of 2-[formyl-[2-(methoxymethoxy)ethyl]amino]ethyl 2-methoxyacetate?
The IUPAC name of 2-[formyl-[2-(methoxymethoxy)ethyl]amino]ethyl 2-methoxyacetate (CID 121263922) is 2-[formyl-[2-(methoxymethoxy)ethyl]amino]ethyl 2-methoxyacetate.
What is the SMILES notation for 2-[formyl-[2-(methoxymethoxy)ethyl]amino]ethyl 2-methoxyacetate?
The canonical SMILES for 2-[formyl-[2-(methoxymethoxy)ethyl]amino]ethyl 2-methoxyacetate is COCOCCN(C=O)CCOC(=O)COC.
What is the InChIKey of 2-[formyl-[2-(methoxymethoxy)ethyl]amino]ethyl 2-methoxyacetate?
The InChIKey is IQAGBZSRVTZSCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO6/c1-14-7-10(13)17-6-4-11(8-12)3-5-16-9-15-2/h8H,3-7,9H2,1-2H3.
What are the key properties of 2-[formyl-[2-(methoxymethoxy)ethyl]amino]ethyl 2-methoxyacetate?
2-[formyl-[2-(methoxymethoxy)ethyl]amino]ethyl 2-methoxyacetate has a molecular weight of 249.26 g/mol, XLogP of -0.75, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[formyl-[2-(methoxymethoxy)ethyl]amino]ethyl 2-methoxyacetate is sourced from PubChem (CID 121263922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).