2-(N-acetyl-3-methylanilino)acetic acid

C11H13NO3 — CID 14484965

IUPAC2-(N-acetyl-3-methylanilino)acetic acid
SMILESCC(=O)N(CC(=O)O)c1cccc(C)c1
InChIInChI=1S/C11H13NO3/c1-8-4-3-5-10(6-8)12(9(2)13)7-11(14)15/h3-6H,7H2,1-2H3,(H,14,15)
InChIKeyDBWGXXLCOCGCKS-UHFFFAOYSA-N
MW207.23 g/mol
LogP1.43
Rot. Bonds3

About 2-(N-acetyl-3-methylanilino)acetic acid

2-(N-acetyl-3-methylanilino)acetic acid (PubChem CID 14484965) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is 2-(N-acetyl-3-methylanilino)acetic acid.

Molecular Properties

Compound Name2-(N-acetyl-3-methylanilino)acetic acid
PubChem CID14484965
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Name2-(N-acetyl-3-methylanilino)acetic acid
SMILESCC(=O)N(CC(=O)O)c1cccc(C)c1
InChIInChI=1S/C11H13NO3/c1-8-4-3-5-10(6-8)12(9(2)13)7-11(14)15/h3-6H,7H2,1-2H3,(H,14,15)
InChIKeyDBWGXXLCOCGCKS-UHFFFAOYSA-N
XLogP1.43
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(N-acetyl-3-methylanilino)acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-3-methylanilino)acetic acid?
The IUPAC name of 2-(N-acetyl-3-methylanilino)acetic acid (CID 14484965) is 2-(N-acetyl-3-methylanilino)acetic acid.
What is the SMILES notation for 2-(N-acetyl-3-methylanilino)acetic acid?
The canonical SMILES for 2-(N-acetyl-3-methylanilino)acetic acid is CC(=O)N(CC(=O)O)c1cccc(C)c1.
What is the InChIKey of 2-(N-acetyl-3-methylanilino)acetic acid?
The InChIKey is DBWGXXLCOCGCKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3/c1-8-4-3-5-10(6-8)12(9(2)13)7-11(14)15/h3-6H,7H2,1-2H3,(H,14,15).
What are the key properties of 2-(N-acetyl-3-methylanilino)acetic acid?
2-(N-acetyl-3-methylanilino)acetic acid has a molecular weight of 207.23 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-acetyl-3-methylanilino)acetic acid is sourced from PubChem (CID 14484965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).