2-[acetyl(methyl)amino]-2-phenylacetic acid

C11H13NO3 — CID 3861124

IUPAC2-[acetyl(methyl)amino]-2-phenylacetic acid
SMILESCC(=O)N(C)C(C(=O)O)c1ccccc1
InChIInChI=1S/C11H13NO3/c1-8(13)12(2)10(11(14)15)9-6-4-3-5-7-9/h3-7,10H,1-2H3,(H,14,15)
InChIKeyVYJVNURAECJMGD-UHFFFAOYSA-N
MW207.23 g/mol
LogP1.29
Rot. Bonds3

About 2-[acetyl(methyl)amino]-2-phenylacetic acid

2-[acetyl(methyl)amino]-2-phenylacetic acid (PubChem CID 3861124) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is 2-[acetyl(methyl)amino]-2-phenylacetic acid.

Molecular Properties

Compound Name2-[acetyl(methyl)amino]-2-phenylacetic acid
PubChem CID3861124
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Name2-[acetyl(methyl)amino]-2-phenylacetic acid
SMILESCC(=O)N(C)C(C(=O)O)c1ccccc1
InChIInChI=1S/C11H13NO3/c1-8(13)12(2)10(11(14)15)9-6-4-3-5-7-9/h3-7,10H,1-2H3,(H,14,15)
InChIKeyVYJVNURAECJMGD-UHFFFAOYSA-N
XLogP1.29
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 ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[acetyl(methyl)amino]-2-phenylacetic 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-[acetyl(methyl)amino]-2-phenylacetic acid?
The IUPAC name of 2-[acetyl(methyl)amino]-2-phenylacetic acid (CID 3861124) is 2-[acetyl(methyl)amino]-2-phenylacetic acid.
What is the SMILES notation for 2-[acetyl(methyl)amino]-2-phenylacetic acid?
The canonical SMILES for 2-[acetyl(methyl)amino]-2-phenylacetic acid is CC(=O)N(C)C(C(=O)O)c1ccccc1.
What is the InChIKey of 2-[acetyl(methyl)amino]-2-phenylacetic acid?
The InChIKey is VYJVNURAECJMGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3/c1-8(13)12(2)10(11(14)15)9-6-4-3-5-7-9/h3-7,10H,1-2H3,(H,14,15).
What are the key properties of 2-[acetyl(methyl)amino]-2-phenylacetic acid?
2-[acetyl(methyl)amino]-2-phenylacetic acid has a molecular weight of 207.23 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(methyl)amino]-2-phenylacetic acid is sourced from PubChem (CID 3861124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).