2-aminooxyacetic acid;chloromethane;2-ethoxyacetic acid

C7H16ClNO6 — CID 158293749

IUPAC2-aminooxyacetic acid;chloromethane;2-ethoxyacetic acid
SMILESCCOCC(=O)O.CCl.NOCC(=O)O
InChIInChI=1S/C4H8O3.C2H5NO3.CH3Cl/c1-2-7-3-4(5)6;3-6-1-2(4)5;1-2/h2-3H2,1H3,(H,5,6);1,3H2,(H,4,5);1H3
InChIKeyGLQXQSYUFRXVJC-UHFFFAOYSA-N
MW245.66 g/mol
LogP-0.08
Rot. Bonds5

About 2-aminooxyacetic acid;chloromethane;2-ethoxyacetic acid

2-aminooxyacetic acid;chloromethane;2-ethoxyacetic acid (PubChem CID 158293749) has the molecular formula C7H16ClNO6 and a molecular weight of 245.66 g/mol. Its IUPAC name is 2-aminooxyacetic acid;chloromethane;2-ethoxyacetic acid.

Molecular Properties

Compound Name2-aminooxyacetic acid;chloromethane;2-ethoxyacetic acid
PubChem CID158293749
Molecular FormulaC7H16ClNO6
Molecular Weight245.66 g/mol
Exact Mass245.07
IUPAC Name2-aminooxyacetic acid;chloromethane;2-ethoxyacetic acid
SMILESCCOCC(=O)O.CCl.NOCC(=O)O
InChIInChI=1S/C4H8O3.C2H5NO3.CH3Cl/c1-2-7-3-4(5)6;3-6-1-2(4)5;1-2/h2-3H2,1H3,(H,5,6);1,3H2,(H,4,5);1H3
InChIKeyGLQXQSYUFRXVJC-UHFFFAOYSA-N
XLogP-0.08
TPSA119.08 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.66
LogP ≤ 5-0.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-ethoxyacetic acid
CID 159744705
dichloromethane;2-ethoxyacetic acid
CID 87359195
carbonic acid;2-ethoxyacetic acid
CID 174869478
1-aminooxy-3-ethoxypropan-2-one
CID 163799340
2-ethoxyacetic acid;2-ethoxyethyl acetate
CID 175733176
2-(2-ethoxy-2-oxoethoxy)acetic acid
CID 11305696
copper;1,2-dichlorobenzene;2-ethoxyacetic acid
CID 174669659
2-(8-ethoxyoctoxy)acetic acid
CID 141124770
2-ethoxyacetic acid;1-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]pentane
CID 174802601
2-ethoxyacetic acid;non-4-ene
CID 175736299
1,5-diethoxy-3,3-bis(2-ethoxyacetyl)pentane-2,4-dione
CID 20715511
ethoxyethane;3,3,3-trichloropropanoic acid
CID 88517444

Frequently Asked Questions

What is the IUPAC name of 2-aminooxyacetic acid;chloromethane;2-ethoxyacetic acid?
The IUPAC name of 2-aminooxyacetic acid;chloromethane;2-ethoxyacetic acid (CID 158293749) is 2-aminooxyacetic acid;chloromethane;2-ethoxyacetic acid.
What is the SMILES notation for 2-aminooxyacetic acid;chloromethane;2-ethoxyacetic acid?
The canonical SMILES for 2-aminooxyacetic acid;chloromethane;2-ethoxyacetic acid is CCOCC(=O)O.CCl.NOCC(=O)O.
What is the InChIKey of 2-aminooxyacetic acid;chloromethane;2-ethoxyacetic acid?
The InChIKey is GLQXQSYUFRXVJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O3.C2H5NO3.CH3Cl/c1-2-7-3-4(5)6;3-6-1-2(4)5;1-2/h2-3H2,1H3,(H,5,6);1,3H2,(H,4,5);1H3.
What are the key properties of 2-aminooxyacetic acid;chloromethane;2-ethoxyacetic acid?
2-aminooxyacetic acid;chloromethane;2-ethoxyacetic acid has a molecular weight of 245.66 g/mol, XLogP of -0.08, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminooxyacetic acid;chloromethane;2-ethoxyacetic acid is sourced from PubChem (CID 158293749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).