2-[(2,6-dichlorophenyl)methylamino]acetic acid

C9H9Cl2NO2 — CID 3280562

IUPAC2-[(2,6-dichlorophenyl)methylamino]acetic acid
SMILESO=C(O)CNCc1c(Cl)cccc1Cl
InChIInChI=1S/C9H9Cl2NO2/c10-7-2-1-3-8(11)6(7)4-12-5-9(13)14/h1-3,12H,4-5H2,(H,13,14)
InChIKeyILKDPXNSQNXPHP-UHFFFAOYSA-N
MW234.08 g/mol
LogP2.17
Rot. Bonds4

About 2-[(2,6-dichlorophenyl)methylamino]acetic acid

2-[(2,6-dichlorophenyl)methylamino]acetic acid (PubChem CID 3280562) has the molecular formula C9H9Cl2NO2 and a molecular weight of 234.08 g/mol. Its IUPAC name is 2-[(2,6-dichlorophenyl)methylamino]acetic acid.

Molecular Properties

Compound Name2-[(2,6-dichlorophenyl)methylamino]acetic acid
PubChem CID3280562
Molecular FormulaC9H9Cl2NO2
Molecular Weight234.08 g/mol
Exact Mass233.00
IUPAC Name2-[(2,6-dichlorophenyl)methylamino]acetic acid
SMILESO=C(O)CNCc1c(Cl)cccc1Cl
InChIInChI=1S/C9H9Cl2NO2/c10-7-2-1-3-8(11)6(7)4-12-5-9(13)14/h1-3,12H,4-5H2,(H,13,14)
InChIKeyILKDPXNSQNXPHP-UHFFFAOYSA-N
XLogP2.17
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.08
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dichlorophenyl)methylamino]acetic acid?
The IUPAC name of 2-[(2,6-dichlorophenyl)methylamino]acetic acid (CID 3280562) is 2-[(2,6-dichlorophenyl)methylamino]acetic acid.
What is the SMILES notation for 2-[(2,6-dichlorophenyl)methylamino]acetic acid?
The canonical SMILES for 2-[(2,6-dichlorophenyl)methylamino]acetic acid is O=C(O)CNCc1c(Cl)cccc1Cl.
What is the InChIKey of 2-[(2,6-dichlorophenyl)methylamino]acetic acid?
The InChIKey is ILKDPXNSQNXPHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Cl2NO2/c10-7-2-1-3-8(11)6(7)4-12-5-9(13)14/h1-3,12H,4-5H2,(H,13,14).
What are the key properties of 2-[(2,6-dichlorophenyl)methylamino]acetic acid?
2-[(2,6-dichlorophenyl)methylamino]acetic acid has a molecular weight of 234.08 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-dichlorophenyl)methylamino]acetic acid is sourced from PubChem (CID 3280562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).