2-[(2,2-dichloroacetyl)-methylamino]acetic acid

C5H7Cl2NO3 — CID 21402665

IUPAC2-[(2,2-dichloroacetyl)-methylamino]acetic acid
SMILESCN(CC(=O)O)C(=O)C(Cl)Cl
InChIInChI=1S/C5H7Cl2NO3/c1-8(2-3(9)10)5(11)4(6)7/h4H,2H2,1H3,(H,9,10)
InChIKeyHVXIGOASOGOMSX-UHFFFAOYSA-N
MW200.02 g/mol
LogP0.33
Rot. Bonds3

About 2-[(2,2-dichloroacetyl)-methylamino]acetic acid

2-[(2,2-dichloroacetyl)-methylamino]acetic acid (PubChem CID 21402665) has the molecular formula C5H7Cl2NO3 and a molecular weight of 200.02 g/mol. Its IUPAC name is 2-[(2,2-dichloroacetyl)-methylamino]acetic acid.

Molecular Properties

Compound Name2-[(2,2-dichloroacetyl)-methylamino]acetic acid
PubChem CID21402665
Molecular FormulaC5H7Cl2NO3
Molecular Weight200.02 g/mol
Exact Mass198.98
IUPAC Name2-[(2,2-dichloroacetyl)-methylamino]acetic acid
SMILESCN(CC(=O)O)C(=O)C(Cl)Cl
InChIInChI=1S/C5H7Cl2NO3/c1-8(2-3(9)10)5(11)4(6)7/h4H,2H2,1H3,(H,9,10)
InChIKeyHVXIGOASOGOMSX-UHFFFAOYSA-N
XLogP0.33
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.02
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-hydroxy-3,3-dimethylbutanoyl)-methylamino]acetic acid
CID 139777185
2-[[(2R)-2-aminopropanoyl]-methylamino]acetic acid;hydrochloride
CID 88764935
2-[methyl-[2-(methylamino)propanoyl]amino]acetic acid
CID 62638787
2-[(2,4-diamino-4-oxobutanoyl)-methylamino]acetic acid
CID 61157104
2-[carboxymethyl(methyl)amino]-2-oxoacetic acid
CID 14985601
2-[dimethylcarbamoyl(methyl)amino]acetic acid
CID 43135260
2-[methyl-(2,2,2-trichloroacetyl)amino]acetic acid
CID 21402666
2-[[2-(3-chlorophenyl)-3-methylbutanoyl]-methylamino]acetic acid
CID 119346472
ethane;2-[methyl(propanoyl)amino]acetic acid
CID 170570723
2-[[2-(carbamoylamino)-4-methylpentanoyl]-methylamino]acetic acid
CID 43356152
2-[[2-hydroxypropyl(methyl)carbamoyl]-methylamino]acetic acid
CID 62338542
2-[2-(3-chlorophenyl)propanoyl-methylamino]acetic acid
CID 119346309

Frequently Asked Questions

What is the IUPAC name of 2-[(2,2-dichloroacetyl)-methylamino]acetic acid?
The IUPAC name of 2-[(2,2-dichloroacetyl)-methylamino]acetic acid (CID 21402665) is 2-[(2,2-dichloroacetyl)-methylamino]acetic acid.
What is the SMILES notation for 2-[(2,2-dichloroacetyl)-methylamino]acetic acid?
The canonical SMILES for 2-[(2,2-dichloroacetyl)-methylamino]acetic acid is CN(CC(=O)O)C(=O)C(Cl)Cl.
What is the InChIKey of 2-[(2,2-dichloroacetyl)-methylamino]acetic acid?
The InChIKey is HVXIGOASOGOMSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7Cl2NO3/c1-8(2-3(9)10)5(11)4(6)7/h4H,2H2,1H3,(H,9,10).
What are the key properties of 2-[(2,2-dichloroacetyl)-methylamino]acetic acid?
2-[(2,2-dichloroacetyl)-methylamino]acetic acid has a molecular weight of 200.02 g/mol, XLogP of 0.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2-dichloroacetyl)-methylamino]acetic acid is sourced from PubChem (CID 21402665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).