2-(2,3-dichlorophenyl)-2-(methylamino)acetic acid

C9H9Cl2NO2 — CID 43753694

IUPAC2-(2,3-dichlorophenyl)-2-(methylamino)acetic acid
SMILESCNC(C(=O)O)c1cccc(Cl)c1Cl
InChIInChI=1S/C9H9Cl2NO2/c1-12-8(9(13)14)5-3-2-4-6(10)7(5)11/h2-4,8,12H,1H3,(H,13,14)
InChIKeyXUSJFRAYQKFOSU-UHFFFAOYSA-N
MW234.08 g/mol
LogP2.34
Rot. Bonds3

About 2-(2,3-dichlorophenyl)-2-(methylamino)acetic acid

2-(2,3-dichlorophenyl)-2-(methylamino)acetic acid (PubChem CID 43753694) has the molecular formula C9H9Cl2NO2 and a molecular weight of 234.08 g/mol. Its IUPAC name is 2-(2,3-dichlorophenyl)-2-(methylamino)acetic acid.

Molecular Properties

Compound Name2-(2,3-dichlorophenyl)-2-(methylamino)acetic acid
PubChem CID43753694
Molecular FormulaC9H9Cl2NO2
Molecular Weight234.08 g/mol
Exact Mass233.00
IUPAC Name2-(2,3-dichlorophenyl)-2-(methylamino)acetic acid
SMILESCNC(C(=O)O)c1cccc(Cl)c1Cl
InChIInChI=1S/C9H9Cl2NO2/c1-12-8(9(13)14)5-3-2-4-6(10)7(5)11/h2-4,8,12H,1H3,(H,13,14)
InChIKeyXUSJFRAYQKFOSU-UHFFFAOYSA-N
XLogP2.34
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.08
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dichlorophenyl)-2-(methylamino)acetic acid?
The IUPAC name of 2-(2,3-dichlorophenyl)-2-(methylamino)acetic acid (CID 43753694) is 2-(2,3-dichlorophenyl)-2-(methylamino)acetic acid.
What is the SMILES notation for 2-(2,3-dichlorophenyl)-2-(methylamino)acetic acid?
The canonical SMILES for 2-(2,3-dichlorophenyl)-2-(methylamino)acetic acid is CNC(C(=O)O)c1cccc(Cl)c1Cl.
What is the InChIKey of 2-(2,3-dichlorophenyl)-2-(methylamino)acetic acid?
The InChIKey is XUSJFRAYQKFOSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Cl2NO2/c1-12-8(9(13)14)5-3-2-4-6(10)7(5)11/h2-4,8,12H,1H3,(H,13,14).
What are the key properties of 2-(2,3-dichlorophenyl)-2-(methylamino)acetic acid?
2-(2,3-dichlorophenyl)-2-(methylamino)acetic acid has a molecular weight of 234.08 g/mol, XLogP of 2.34, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dichlorophenyl)-2-(methylamino)acetic acid is sourced from PubChem (CID 43753694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).