2-(3,4-dichlorophenyl)-2-(dimethylamino)acetic acid

C10H11Cl2NO2 — CID 43803189

IUPAC2-(3,4-dichlorophenyl)-2-(dimethylamino)acetic acid
SMILESCN(C)C(C(=O)O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C10H11Cl2NO2/c1-13(2)9(10(14)15)6-3-4-7(11)8(12)5-6/h3-5,9H,1-2H3,(H,14,15)
InChIKeyDQFFOHVNXCQGNY-UHFFFAOYSA-N
MW248.11 g/mol
LogP2.68
Rot. Bonds3

About 2-(3,4-dichlorophenyl)-2-(dimethylamino)acetic acid

2-(3,4-dichlorophenyl)-2-(dimethylamino)acetic acid (PubChem CID 43803189) has the molecular formula C10H11Cl2NO2 and a molecular weight of 248.11 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-2-(dimethylamino)acetic acid.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-2-(dimethylamino)acetic acid
PubChem CID43803189
Molecular FormulaC10H11Cl2NO2
Molecular Weight248.11 g/mol
Exact Mass247.02
IUPAC Name2-(3,4-dichlorophenyl)-2-(dimethylamino)acetic acid
SMILESCN(C)C(C(=O)O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C10H11Cl2NO2/c1-13(2)9(10(14)15)6-3-4-7(11)8(12)5-6/h3-5,9H,1-2H3,(H,14,15)
InChIKeyDQFFOHVNXCQGNY-UHFFFAOYSA-N
XLogP2.68
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.11
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-2-(dimethylamino)acetic acid?
The IUPAC name of 2-(3,4-dichlorophenyl)-2-(dimethylamino)acetic acid (CID 43803189) is 2-(3,4-dichlorophenyl)-2-(dimethylamino)acetic acid.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-2-(dimethylamino)acetic acid?
The canonical SMILES for 2-(3,4-dichlorophenyl)-2-(dimethylamino)acetic acid is CN(C)C(C(=O)O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-2-(dimethylamino)acetic acid?
The InChIKey is DQFFOHVNXCQGNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2NO2/c1-13(2)9(10(14)15)6-3-4-7(11)8(12)5-6/h3-5,9H,1-2H3,(H,14,15).
What are the key properties of 2-(3,4-dichlorophenyl)-2-(dimethylamino)acetic acid?
2-(3,4-dichlorophenyl)-2-(dimethylamino)acetic acid has a molecular weight of 248.11 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-2-(dimethylamino)acetic acid is sourced from PubChem (CID 43803189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).