2-[(2-butoxyacetyl)-(2-methoxyethyl)amino]acetic acid

C11H21NO5 — CID 119189224

IUPAC2-[(2-butoxyacetyl)-(2-methoxyethyl)amino]acetic acid
SMILESCCCCOCC(=O)N(CCOC)CC(=O)O
InChIInChI=1S/C11H21NO5/c1-3-4-6-17-9-10(13)12(5-7-16-2)8-11(14)15/h3-9H2,1-2H3,(H,14,15)
InChIKeyVVWMBTOKBBZFEO-UHFFFAOYSA-N
MW247.29 g/mol
LogP0.36
Rot. Bonds10

About 2-[(2-butoxyacetyl)-(2-methoxyethyl)amino]acetic acid

2-[(2-butoxyacetyl)-(2-methoxyethyl)amino]acetic acid (PubChem CID 119189224) has the molecular formula C11H21NO5 and a molecular weight of 247.29 g/mol. Its IUPAC name is 2-[(2-butoxyacetyl)-(2-methoxyethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(2-butoxyacetyl)-(2-methoxyethyl)amino]acetic acid
PubChem CID119189224
Molecular FormulaC11H21NO5
Molecular Weight247.29 g/mol
Exact Mass247.14
IUPAC Name2-[(2-butoxyacetyl)-(2-methoxyethyl)amino]acetic acid
SMILESCCCCOCC(=O)N(CCOC)CC(=O)O
InChIInChI=1S/C11H21NO5/c1-3-4-6-17-9-10(13)12(5-7-16-2)8-11(14)15/h3-9H2,1-2H3,(H,14,15)
InChIKeyVVWMBTOKBBZFEO-UHFFFAOYSA-N
XLogP0.36
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 50.36
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-ethoxy-N,N-bis(2-methoxyethyl)acetamide
CID 60636441
2-[2-methoxyethyl-(2-piperidin-4-yloxyacetyl)amino]acetic acid
CID 79271103
2-[[5-(dimethylamino)-5-oxopentanoyl]-(2-methoxyethyl)amino]acetic acid
CID 119189683
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[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]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N,N-di(tetradecyl)acetamide
CID 163192847
2-butoxy-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)acetamide
CID 46995819
2-[[(2-amino-2-oxoethyl)-butylcarbamoyl]-(2-methoxyethyl)amino]acetic acid
CID 79269680
2-[(2-butoxyacetyl)-[(4-chlorophenyl)methyl]amino]acetic acid
CID 119193563
2-[bis(2-methoxyethyl)carbamoyl-(2-methoxyethyl)amino]acetic acid
CID 79272631
2-[[ethyl(propyl)carbamoyl]-(2-methoxyethyl)amino]acetic acid
CID 79272261
2-[3-(2-methoxyethoxy)propyl-propylamino]acetic acid
CID 103410839
N,N-dibutyl-2-propoxyacetamide
CID 48656867
2-[(2-propoxyacetyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 107938155

Frequently Asked Questions

What is the IUPAC name of 2-[(2-butoxyacetyl)-(2-methoxyethyl)amino]acetic acid?
The IUPAC name of 2-[(2-butoxyacetyl)-(2-methoxyethyl)amino]acetic acid (CID 119189224) is 2-[(2-butoxyacetyl)-(2-methoxyethyl)amino]acetic acid.
What is the SMILES notation for 2-[(2-butoxyacetyl)-(2-methoxyethyl)amino]acetic acid?
The canonical SMILES for 2-[(2-butoxyacetyl)-(2-methoxyethyl)amino]acetic acid is CCCCOCC(=O)N(CCOC)CC(=O)O.
What is the InChIKey of 2-[(2-butoxyacetyl)-(2-methoxyethyl)amino]acetic acid?
The InChIKey is VVWMBTOKBBZFEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO5/c1-3-4-6-17-9-10(13)12(5-7-16-2)8-11(14)15/h3-9H2,1-2H3,(H,14,15).
What are the key properties of 2-[(2-butoxyacetyl)-(2-methoxyethyl)amino]acetic acid?
2-[(2-butoxyacetyl)-(2-methoxyethyl)amino]acetic acid has a molecular weight of 247.29 g/mol, XLogP of 0.36, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-butoxyacetyl)-(2-methoxyethyl)amino]acetic acid is sourced from PubChem (CID 119189224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).