2-[2-[2-(methoxymethylamino)-2-oxoethoxy]ethoxy]acetic acid

C8H15NO6 — CID 18374575

IUPAC2-[2-[2-(methoxymethylamino)-2-oxoethoxy]ethoxy]acetic acid
SMILESCOCNC(=O)COCCOCC(=O)O
InChIInChI=1S/C8H15NO6/c1-13-6-9-7(10)4-14-2-3-15-5-8(11)12/h2-6H2,1H3,(H,9,10)(H,11,12)
InChIKeyDMLOHHXNMUFMND-UHFFFAOYSA-N
MW221.21 g/mol
LogP-1.18
Rot. Bonds9

About 2-[2-[2-(methoxymethylamino)-2-oxoethoxy]ethoxy]acetic acid

2-[2-[2-(methoxymethylamino)-2-oxoethoxy]ethoxy]acetic acid (PubChem CID 18374575) has the molecular formula C8H15NO6 and a molecular weight of 221.21 g/mol. Its IUPAC name is 2-[2-[2-(methoxymethylamino)-2-oxoethoxy]ethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[2-(methoxymethylamino)-2-oxoethoxy]ethoxy]acetic acid
PubChem CID18374575
Molecular FormulaC8H15NO6
Molecular Weight221.21 g/mol
Exact Mass221.09
IUPAC Name2-[2-[2-(methoxymethylamino)-2-oxoethoxy]ethoxy]acetic acid
SMILESCOCNC(=O)COCCOCC(=O)O
InChIInChI=1S/C8H15NO6/c1-13-6-9-7(10)4-14-2-3-15-5-8(11)12/h2-6H2,1H3,(H,9,10)(H,11,12)
InChIKeyDMLOHHXNMUFMND-UHFFFAOYSA-N
XLogP-1.18
TPSA94.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.21
LogP ≤ 5-1.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[2-[2-(methoxymethylamino)-2-oxoethoxy]ethoxy]acetic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(methoxymethylamino)-2-oxoethoxy]ethoxy]acetic acid?
The IUPAC name of 2-[2-[2-(methoxymethylamino)-2-oxoethoxy]ethoxy]acetic acid (CID 18374575) is 2-[2-[2-(methoxymethylamino)-2-oxoethoxy]ethoxy]acetic acid.
What is the SMILES notation for 2-[2-[2-(methoxymethylamino)-2-oxoethoxy]ethoxy]acetic acid?
The canonical SMILES for 2-[2-[2-(methoxymethylamino)-2-oxoethoxy]ethoxy]acetic acid is COCNC(=O)COCCOCC(=O)O.
What is the InChIKey of 2-[2-[2-(methoxymethylamino)-2-oxoethoxy]ethoxy]acetic acid?
The InChIKey is DMLOHHXNMUFMND-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO6/c1-13-6-9-7(10)4-14-2-3-15-5-8(11)12/h2-6H2,1H3,(H,9,10)(H,11,12).
What are the key properties of 2-[2-[2-(methoxymethylamino)-2-oxoethoxy]ethoxy]acetic acid?
2-[2-[2-(methoxymethylamino)-2-oxoethoxy]ethoxy]acetic acid has a molecular weight of 221.21 g/mol, XLogP of -1.18, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(methoxymethylamino)-2-oxoethoxy]ethoxy]acetic acid is sourced from PubChem (CID 18374575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).