2-methyl-2-(naphthalen-2-ylamino)propanoic acid

C14H15NO2 — CID 69497419

IUPAC2-methyl-2-(naphthalen-2-ylamino)propanoic acid
SMILESCC(C)(Nc1ccc2ccccc2c1)C(=O)O
InChIInChI=1S/C14H15NO2/c1-14(2,13(16)17)15-12-8-7-10-5-3-4-6-11(10)9-12/h3-9,15H,1-2H3,(H,16,17)
InChIKeyAXOASSPJIHAVGD-UHFFFAOYSA-N
MW229.28 g/mol
LogP3.11
Rot. Bonds3

About 2-methyl-2-(naphthalen-2-ylamino)propanoic acid

2-methyl-2-(naphthalen-2-ylamino)propanoic acid (PubChem CID 69497419) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is 2-methyl-2-(naphthalen-2-ylamino)propanoic acid.

Molecular Properties

Compound Name2-methyl-2-(naphthalen-2-ylamino)propanoic acid
PubChem CID69497419
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC Name2-methyl-2-(naphthalen-2-ylamino)propanoic acid
SMILESCC(C)(Nc1ccc2ccccc2c1)C(=O)O
InChIInChI=1S/C14H15NO2/c1-14(2,13(16)17)15-12-8-7-10-5-3-4-6-11(10)9-12/h3-9,15H,1-2H3,(H,16,17)
InChIKeyAXOASSPJIHAVGD-UHFFFAOYSA-N
XLogP3.11
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-methyl-2-(naphthalen-2-ylamino)propanoic 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-methyl-2-(naphthalen-2-ylamino)propanoic acid?
The IUPAC name of 2-methyl-2-(naphthalen-2-ylamino)propanoic acid (CID 69497419) is 2-methyl-2-(naphthalen-2-ylamino)propanoic acid.
What is the SMILES notation for 2-methyl-2-(naphthalen-2-ylamino)propanoic acid?
The canonical SMILES for 2-methyl-2-(naphthalen-2-ylamino)propanoic acid is CC(C)(Nc1ccc2ccccc2c1)C(=O)O.
What is the InChIKey of 2-methyl-2-(naphthalen-2-ylamino)propanoic acid?
The InChIKey is AXOASSPJIHAVGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2/c1-14(2,13(16)17)15-12-8-7-10-5-3-4-6-11(10)9-12/h3-9,15H,1-2H3,(H,16,17).
What are the key properties of 2-methyl-2-(naphthalen-2-ylamino)propanoic acid?
2-methyl-2-(naphthalen-2-ylamino)propanoic acid has a molecular weight of 229.28 g/mol, XLogP of 3.11, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(naphthalen-2-ylamino)propanoic acid is sourced from PubChem (CID 69497419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).