2-[(3,4-dichlorophenyl)methylamino]oxyacetic acid

C9H9Cl2NO3 — CID 23499557

IUPAC2-[(3,4-dichlorophenyl)methylamino]oxyacetic acid
SMILESO=C(O)CONCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C9H9Cl2NO3/c10-7-2-1-6(3-8(7)11)4-12-15-5-9(13)14/h1-3,12H,4-5H2,(H,13,14)
InChIKeyUPNHRLJJAZEGPR-UHFFFAOYSA-N
MW250.08 g/mol
LogP2.10
Rot. Bonds5

About 2-[(3,4-dichlorophenyl)methylamino]oxyacetic acid

2-[(3,4-dichlorophenyl)methylamino]oxyacetic acid (PubChem CID 23499557) has the molecular formula C9H9Cl2NO3 and a molecular weight of 250.08 g/mol. Its IUPAC name is 2-[(3,4-dichlorophenyl)methylamino]oxyacetic acid.

Molecular Properties

Compound Name2-[(3,4-dichlorophenyl)methylamino]oxyacetic acid
PubChem CID23499557
Molecular FormulaC9H9Cl2NO3
Molecular Weight250.08 g/mol
Exact Mass249.00
IUPAC Name2-[(3,4-dichlorophenyl)methylamino]oxyacetic acid
SMILESO=C(O)CONCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C9H9Cl2NO3/c10-7-2-1-6(3-8(7)11)4-12-15-5-9(13)14/h1-3,12H,4-5H2,(H,13,14)
InChIKeyUPNHRLJJAZEGPR-UHFFFAOYSA-N
XLogP2.10
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.08
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(3,4-dichlorophenyl)methylamino]oxyacetamide
CID 112672874
2-[(3-bromo-4-chlorophenyl)methylamino]oxyacetamide
CID 112672866
2-[(3,4-dichlorophenyl)methylamino]butanedioic acid
CID 82364632
2-chloro-N-[(3,4-dichlorophenyl)methyl]acetamide
CID 3460813
3-[(3,4-dichlorophenyl)methylamino]thiophene-2-carboxylic acid
CID 54757812
2-[(3,4-dichlorophenyl)methylsulfonyl]acetic acid
CID 25220591
4-[[(3,4-dichlorophenyl)methylamino]methyl]cyclohexane-1-carboxylic acid
CID 79532727
[1-[(3,4-dichlorophenyl)methylamino]cyclopropyl]methanol
CID 115763060
1-(3,4-dichlorophenyl)-N-iodomethanamine
CID 126576131
2-[(3,4-dichlorophenyl)methylamino]-2-methylbutanoic acid
CID 79791567
2,6-dichloro-4-[(3,4-dichlorophenyl)methylcarbamoyl]benzoic acid
CID 157035965
2-(3,4-dichlorophenyl)-N-phenylmethoxyacetamide
CID 8908973

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dichlorophenyl)methylamino]oxyacetic acid?
The IUPAC name of 2-[(3,4-dichlorophenyl)methylamino]oxyacetic acid (CID 23499557) is 2-[(3,4-dichlorophenyl)methylamino]oxyacetic acid.
What is the SMILES notation for 2-[(3,4-dichlorophenyl)methylamino]oxyacetic acid?
The canonical SMILES for 2-[(3,4-dichlorophenyl)methylamino]oxyacetic acid is O=C(O)CONCc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-[(3,4-dichlorophenyl)methylamino]oxyacetic acid?
The InChIKey is UPNHRLJJAZEGPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Cl2NO3/c10-7-2-1-6(3-8(7)11)4-12-15-5-9(13)14/h1-3,12H,4-5H2,(H,13,14).
What are the key properties of 2-[(3,4-dichlorophenyl)methylamino]oxyacetic acid?
2-[(3,4-dichlorophenyl)methylamino]oxyacetic acid has a molecular weight of 250.08 g/mol, XLogP of 2.10, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dichlorophenyl)methylamino]oxyacetic acid is sourced from PubChem (CID 23499557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).