2-(N-ethyl-2-hydroxy-4-methylanilino)acetic acid

C11H15NO3 — CID 175473181

IUPAC2-(N-ethyl-2-hydroxy-4-methylanilino)acetic acid
SMILESCCN(CC(=O)O)c1ccc(C)cc1O
InChIInChI=1S/C11H15NO3/c1-3-12(7-11(14)15)9-5-4-8(2)6-10(9)13/h4-6,13H,3,7H2,1-2H3,(H,14,15)
InChIKeyNVIMMSKSYRUPDH-UHFFFAOYSA-N
MW209.25 g/mol
LogP1.61
Rot. Bonds4

About 2-(N-ethyl-2-hydroxy-4-methylanilino)acetic acid

2-(N-ethyl-2-hydroxy-4-methylanilino)acetic acid (PubChem CID 175473181) has the molecular formula C11H15NO3 and a molecular weight of 209.25 g/mol. Its IUPAC name is 2-(N-ethyl-2-hydroxy-4-methylanilino)acetic acid.

Molecular Properties

Compound Name2-(N-ethyl-2-hydroxy-4-methylanilino)acetic acid
PubChem CID175473181
Molecular FormulaC11H15NO3
Molecular Weight209.25 g/mol
Exact Mass209.11
IUPAC Name2-(N-ethyl-2-hydroxy-4-methylanilino)acetic acid
SMILESCCN(CC(=O)O)c1ccc(C)cc1O
InChIInChI=1S/C11H15NO3/c1-3-12(7-11(14)15)9-5-4-8(2)6-10(9)13/h4-6,13H,3,7H2,1-2H3,(H,14,15)
InChIKeyNVIMMSKSYRUPDH-UHFFFAOYSA-N
XLogP1.61
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(N-ethyl-2-hydroxy-4-methylanilino)acetic acid?
The IUPAC name of 2-(N-ethyl-2-hydroxy-4-methylanilino)acetic acid (CID 175473181) is 2-(N-ethyl-2-hydroxy-4-methylanilino)acetic acid.
What is the SMILES notation for 2-(N-ethyl-2-hydroxy-4-methylanilino)acetic acid?
The canonical SMILES for 2-(N-ethyl-2-hydroxy-4-methylanilino)acetic acid is CCN(CC(=O)O)c1ccc(C)cc1O.
What is the InChIKey of 2-(N-ethyl-2-hydroxy-4-methylanilino)acetic acid?
The InChIKey is NVIMMSKSYRUPDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-3-12(7-11(14)15)9-5-4-8(2)6-10(9)13/h4-6,13H,3,7H2,1-2H3,(H,14,15).
What are the key properties of 2-(N-ethyl-2-hydroxy-4-methylanilino)acetic acid?
2-(N-ethyl-2-hydroxy-4-methylanilino)acetic acid has a molecular weight of 209.25 g/mol, XLogP of 1.61, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-ethyl-2-hydroxy-4-methylanilino)acetic acid is sourced from PubChem (CID 175473181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).