2-[tert-butyl-[2-(2-methoxyethoxy)ethyl]amino]acetic acid

C11H23NO4 — CID 79268852

IUPAC2-[tert-butyl-[2-(2-methoxyethoxy)ethyl]amino]acetic acid
SMILESCOCCOCCN(CC(=O)O)C(C)(C)C
InChIInChI=1S/C11H23NO4/c1-11(2,3)12(9-10(13)14)5-6-16-8-7-15-4/h5-9H2,1-4H3,(H,13,14)
InChIKeyFZPGYFQUJCOQQJ-UHFFFAOYSA-N
MW233.31 g/mol
LogP0.83
Rot. Bonds8

About 2-[tert-butyl-[2-(2-methoxyethoxy)ethyl]amino]acetic acid

2-[tert-butyl-[2-(2-methoxyethoxy)ethyl]amino]acetic acid (PubChem CID 79268852) has the molecular formula C11H23NO4 and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-[tert-butyl-[2-(2-methoxyethoxy)ethyl]amino]acetic acid.

Molecular Properties

Compound Name2-[tert-butyl-[2-(2-methoxyethoxy)ethyl]amino]acetic acid
PubChem CID79268852
Molecular FormulaC11H23NO4
Molecular Weight233.31 g/mol
Exact Mass233.16
IUPAC Name2-[tert-butyl-[2-(2-methoxyethoxy)ethyl]amino]acetic acid
SMILESCOCCOCCN(CC(=O)O)C(C)(C)C
InChIInChI=1S/C11H23NO4/c1-11(2,3)12(9-10(13)14)5-6-16-8-7-15-4/h5-9H2,1-4H3,(H,13,14)
InChIKeyFZPGYFQUJCOQQJ-UHFFFAOYSA-N
XLogP0.83
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 50.83
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-[tert-butyl-[2-(2-hydroxyethoxy)ethyl]amino]acetic acid
CID 79269476
3-amino-1-[tert-butyl(2-methoxyethyl)amino]-3-methylbutan-2-one
CID 145438792
3-[tert-butyl(2-propoxyethyl)amino]propanoic acid
CID 106454620
2-[tert-butyl(2-cyclopropylethyl)amino]acetic acid
CID 79268300
2-[2-(3-methoxypropoxy)ethyl-methylamino]acetic acid
CID 103181230
2-[3-(2-methoxyethoxy)propyl-propylamino]acetic acid
CID 103410839
2-[tert-butyl-[2-(3-methylphenoxy)ethyl]amino]acetic acid
CID 79269116
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 91757835
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 71310695
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid
CID 15118673
2-[tert-butyl(4-methoxybutan-2-yl)amino]acetic acid
CID 79268714
2-[tert-butyl(cyclopropylmethyl)amino]acetic acid
CID 79268654

Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl-[2-(2-methoxyethoxy)ethyl]amino]acetic acid?
The IUPAC name of 2-[tert-butyl-[2-(2-methoxyethoxy)ethyl]amino]acetic acid (CID 79268852) is 2-[tert-butyl-[2-(2-methoxyethoxy)ethyl]amino]acetic acid.
What is the SMILES notation for 2-[tert-butyl-[2-(2-methoxyethoxy)ethyl]amino]acetic acid?
The canonical SMILES for 2-[tert-butyl-[2-(2-methoxyethoxy)ethyl]amino]acetic acid is COCCOCCN(CC(=O)O)C(C)(C)C.
What is the InChIKey of 2-[tert-butyl-[2-(2-methoxyethoxy)ethyl]amino]acetic acid?
The InChIKey is FZPGYFQUJCOQQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO4/c1-11(2,3)12(9-10(13)14)5-6-16-8-7-15-4/h5-9H2,1-4H3,(H,13,14).
What are the key properties of 2-[tert-butyl-[2-(2-methoxyethoxy)ethyl]amino]acetic acid?
2-[tert-butyl-[2-(2-methoxyethoxy)ethyl]amino]acetic acid has a molecular weight of 233.31 g/mol, XLogP of 0.83, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl-[2-(2-methoxyethoxy)ethyl]amino]acetic acid is sourced from PubChem (CID 79268852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).