2-(2,3-dimethylanilino)acetic acid

C10H13NO2 — CID 3682578

IUPAC2-(2,3-dimethylanilino)acetic acid
SMILESCc1cccc(NCC(=O)O)c1C
InChIInChI=1S/C10H13NO2/c1-7-4-3-5-9(8(7)2)11-6-10(12)13/h3-5,11H,6H2,1-2H3,(H,12,13)
InChIKeyUXKSOLXGLFXGLK-UHFFFAOYSA-N
MW179.22 g/mol
LogP1.80
Rot. Bonds3

About 2-(2,3-dimethylanilino)acetic acid

2-(2,3-dimethylanilino)acetic acid (PubChem CID 3682578) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is 2-(2,3-dimethylanilino)acetic acid.

Molecular Properties

Compound Name2-(2,3-dimethylanilino)acetic acid
PubChem CID3682578
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name2-(2,3-dimethylanilino)acetic acid
SMILESCc1cccc(NCC(=O)O)c1C
InChIInChI=1S/C10H13NO2/c1-7-4-3-5-9(8(7)2)11-6-10(12)13/h3-5,11H,6H2,1-2H3,(H,12,13)
InChIKeyUXKSOLXGLFXGLK-UHFFFAOYSA-N
XLogP1.80
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethylanilino)acetic acid?
The IUPAC name of 2-(2,3-dimethylanilino)acetic acid (CID 3682578) is 2-(2,3-dimethylanilino)acetic acid.
What is the SMILES notation for 2-(2,3-dimethylanilino)acetic acid?
The canonical SMILES for 2-(2,3-dimethylanilino)acetic acid is Cc1cccc(NCC(=O)O)c1C.
What is the InChIKey of 2-(2,3-dimethylanilino)acetic acid?
The InChIKey is UXKSOLXGLFXGLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2/c1-7-4-3-5-9(8(7)2)11-6-10(12)13/h3-5,11H,6H2,1-2H3,(H,12,13).
What are the key properties of 2-(2,3-dimethylanilino)acetic acid?
2-(2,3-dimethylanilino)acetic acid has a molecular weight of 179.22 g/mol, XLogP of 1.80, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethylanilino)acetic acid is sourced from PubChem (CID 3682578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).