2-[2-[2-[(2-chloroacetyl)amino]ethoxy]ethoxy]acetic acid

C8H14ClNO5 — CID 163273323

IUPAC2-[2-[2-[(2-chloroacetyl)amino]ethoxy]ethoxy]acetic acid
SMILESO=C(O)COCCOCCNC(=O)CCl
InChIInChI=1S/C8H14ClNO5/c9-5-7(11)10-1-2-14-3-4-15-6-8(12)13/h1-6H2,(H,10,11)(H,12,13)
InChIKeyAUAQGTJILHWRJW-UHFFFAOYSA-N
MW239.65 g/mol
LogP-0.54
Rot. Bonds9

About 2-[2-[2-[(2-chloroacetyl)amino]ethoxy]ethoxy]acetic acid

2-[2-[2-[(2-chloroacetyl)amino]ethoxy]ethoxy]acetic acid (PubChem CID 163273323) has the molecular formula C8H14ClNO5 and a molecular weight of 239.65 g/mol. Its IUPAC name is 2-[2-[2-[(2-chloroacetyl)amino]ethoxy]ethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[2-[(2-chloroacetyl)amino]ethoxy]ethoxy]acetic acid
PubChem CID163273323
Molecular FormulaC8H14ClNO5
Molecular Weight239.65 g/mol
Exact Mass239.06
IUPAC Name2-[2-[2-[(2-chloroacetyl)amino]ethoxy]ethoxy]acetic acid
SMILESO=C(O)COCCOCCNC(=O)CCl
InChIInChI=1S/C8H14ClNO5/c9-5-7(11)10-1-2-14-3-4-15-6-8(12)13/h1-6H2,(H,10,11)(H,12,13)
InChIKeyAUAQGTJILHWRJW-UHFFFAOYSA-N
XLogP-0.54
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.65
LogP ≤ 5-0.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[2-[2-[2-(carboxyamino)ethoxy]ethoxy]ethoxy]ethoxy]acetic acid
CID 86346270
2-[2-[2-(2-amino-2-oxoethoxy)ethylamino]-2-oxoethoxy]acetic acid
CID 106234757
2-[2-[2-[2-[[5-[2-[2-[2-(carboxymethoxy)ethoxy]ethoxy]ethylamino]-3-formamido-5-oxopentanoyl]amino]ethoxy]ethoxy]ethoxy]acetic acid
CID 176706962
2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid
CID 11660330
ethane;2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]acetic acid
CID 142814707
2-[2-(5-aminopentanoylamino)ethoxy]acetic acid
CID 79457859
2-(2-methoxyethoxy)-N-[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-methoxyethylamino)-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl]acetamide
CID 175629817
ethane;2-ethoxy-N-[2-[2-[2-[2-[(2-ethoxyacetyl)amino]ethoxy]ethoxy]ethoxy]ethyl]acetamide
CID 142043663
2-[2-(hexadecanoylamino)ethoxy]acetic acid
CID 3017701
2-[2-[[2-[acetyl(methyl)amino]acetyl]amino]ethoxy]acetic acid
CID 79457414
2-[2-[2-[(1-methylcyclopropanecarbonyl)amino]ethoxy]ethoxy]acetic acid
CID 165477386
2-[2-[[2-[(2-chlorobenzoyl)amino]acetyl]amino]ethoxy]acetic acid
CID 79468883

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[(2-chloroacetyl)amino]ethoxy]ethoxy]acetic acid?
The IUPAC name of 2-[2-[2-[(2-chloroacetyl)amino]ethoxy]ethoxy]acetic acid (CID 163273323) is 2-[2-[2-[(2-chloroacetyl)amino]ethoxy]ethoxy]acetic acid.
What is the SMILES notation for 2-[2-[2-[(2-chloroacetyl)amino]ethoxy]ethoxy]acetic acid?
The canonical SMILES for 2-[2-[2-[(2-chloroacetyl)amino]ethoxy]ethoxy]acetic acid is O=C(O)COCCOCCNC(=O)CCl.
What is the InChIKey of 2-[2-[2-[(2-chloroacetyl)amino]ethoxy]ethoxy]acetic acid?
The InChIKey is AUAQGTJILHWRJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14ClNO5/c9-5-7(11)10-1-2-14-3-4-15-6-8(12)13/h1-6H2,(H,10,11)(H,12,13).
What are the key properties of 2-[2-[2-[(2-chloroacetyl)amino]ethoxy]ethoxy]acetic acid?
2-[2-[2-[(2-chloroacetyl)amino]ethoxy]ethoxy]acetic acid has a molecular weight of 239.65 g/mol, XLogP of -0.54, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[(2-chloroacetyl)amino]ethoxy]ethoxy]acetic acid is sourced from PubChem (CID 163273323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).