2-[2-(3-methoxypropoxy)ethyl-methylamino]acetic acid

C9H19NO4 — CID 103181230

IUPAC2-[2-(3-methoxypropoxy)ethyl-methylamino]acetic acid
SMILESCOCCCOCCN(C)CC(=O)O
InChIInChI=1S/C9H19NO4/c1-10(8-9(11)12)4-7-14-6-3-5-13-2/h3-8H2,1-2H3,(H,11,12)
InChIKeyLONCFDJBOAIYGA-UHFFFAOYSA-N
MW205.25 g/mol
LogP0.06
Rot. Bonds9

About 2-[2-(3-methoxypropoxy)ethyl-methylamino]acetic acid

2-[2-(3-methoxypropoxy)ethyl-methylamino]acetic acid (PubChem CID 103181230) has the molecular formula C9H19NO4 and a molecular weight of 205.25 g/mol. Its IUPAC name is 2-[2-(3-methoxypropoxy)ethyl-methylamino]acetic acid.

Molecular Properties

Compound Name2-[2-(3-methoxypropoxy)ethyl-methylamino]acetic acid
PubChem CID103181230
Molecular FormulaC9H19NO4
Molecular Weight205.25 g/mol
Exact Mass205.13
IUPAC Name2-[2-(3-methoxypropoxy)ethyl-methylamino]acetic acid
SMILESCOCCCOCCN(C)CC(=O)O
InChIInChI=1S/C9H19NO4/c1-10(8-9(11)12)4-7-14-6-3-5-13-2/h3-8H2,1-2H3,(H,11,12)
InChIKeyLONCFDJBOAIYGA-UHFFFAOYSA-N
XLogP0.06
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.25
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]acetic acid
CID 61490462
2-[methyl-[2-(3-methylbutoxy)ethyl]amino]acetic acid
CID 61484389
2-[2-(3-methoxypropoxy)ethyl-prop-2-enylamino]acetic acid
CID 103181355
4-(3-methoxypropoxy)butanoic acid
CID 60918159
2-[2-(3-methoxypropoxy)ethoxy]acetic acid
CID 54027919
ethane;N-[2-(3-methoxypropoxy)ethyl]-N-methylbutan-1-amine
CID 166148269
N-[2-[3-(2-methoxyethoxy)propoxy]ethyl]-N-methylbutan-1-amine
CID 156867947
2-[2-(3-methoxypropoxy)ethyl-methylamino]acetonitrile
CID 103909902
2-[3-(2-methoxyethoxy)propyl-propylamino]acetic acid
CID 103410839
3-[2-[2-(2-carboxyethoxy)ethyl-methylamino]ethoxy]propanoic acid
CID 170368150
2-[3-(2-methoxyethoxy)propoxy]acetic acid
CID 87577722
1-methoxy-3-[3-(3-methoxypropoxy)propoxy]propane
CID 6432627

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-methoxypropoxy)ethyl-methylamino]acetic acid?
The IUPAC name of 2-[2-(3-methoxypropoxy)ethyl-methylamino]acetic acid (CID 103181230) is 2-[2-(3-methoxypropoxy)ethyl-methylamino]acetic acid.
What is the SMILES notation for 2-[2-(3-methoxypropoxy)ethyl-methylamino]acetic acid?
The canonical SMILES for 2-[2-(3-methoxypropoxy)ethyl-methylamino]acetic acid is COCCCOCCN(C)CC(=O)O.
What is the InChIKey of 2-[2-(3-methoxypropoxy)ethyl-methylamino]acetic acid?
The InChIKey is LONCFDJBOAIYGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO4/c1-10(8-9(11)12)4-7-14-6-3-5-13-2/h3-8H2,1-2H3,(H,11,12).
What are the key properties of 2-[2-(3-methoxypropoxy)ethyl-methylamino]acetic acid?
2-[2-(3-methoxypropoxy)ethyl-methylamino]acetic acid has a molecular weight of 205.25 g/mol, XLogP of 0.06, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-methoxypropoxy)ethyl-methylamino]acetic acid is sourced from PubChem (CID 103181230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).