2-methyl-3-[methyl-(2-naphthalen-2-ylsulfanylacetyl)amino]propanoic acid

C17H19NO3S — CID 119228669

IUPAC2-methyl-3-[methyl-(2-naphthalen-2-ylsulfanylacetyl)amino]propanoic acid
SMILESCC(CN(C)C(=O)CSc1ccc2ccccc2c1)C(=O)O
InChIInChI=1S/C17H19NO3S/c1-12(17(20)21)10-18(2)16(19)11-22-15-8-7-13-5-3-4-6-14(13)9-15/h3-9,12H,10-11H2,1-2H3,(H,20,21)
InChIKeyOVZCZTDOBKLZPR-UHFFFAOYSA-N
MW317.41 g/mol
LogP3.11
Rot. Bonds6

About 2-methyl-3-[methyl-(2-naphthalen-2-ylsulfanylacetyl)amino]propanoic acid

2-methyl-3-[methyl-(2-naphthalen-2-ylsulfanylacetyl)amino]propanoic acid (PubChem CID 119228669) has the molecular formula C17H19NO3S and a molecular weight of 317.41 g/mol. Its IUPAC name is 2-methyl-3-[methyl-(2-naphthalen-2-ylsulfanylacetyl)amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-3-[methyl-(2-naphthalen-2-ylsulfanylacetyl)amino]propanoic acid
PubChem CID119228669
Molecular FormulaC17H19NO3S
Molecular Weight317.41 g/mol
Exact Mass317.11
IUPAC Name2-methyl-3-[methyl-(2-naphthalen-2-ylsulfanylacetyl)amino]propanoic acid
SMILESCC(CN(C)C(=O)CSc1ccc2ccccc2c1)C(=O)O
InChIInChI=1S/C17H19NO3S/c1-12(17(20)21)10-18(2)16(19)11-22-15-8-7-13-5-3-4-6-14(13)9-15/h3-9,12H,10-11H2,1-2H3,(H,20,21)
InChIKeyOVZCZTDOBKLZPR-UHFFFAOYSA-N
XLogP3.11
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-methyl-3-[methyl-(2-naphthalen-2-ylsulfanylacetyl)amino]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

Related Compounds

3-[methyl-(2-naphthalen-2-ylsulfanylacetyl)amino]propanoic acid
CID 119233131
2-methyl-3-naphthalen-2-ylsulfanylpropanoic acid
CID 43538170
N-[(2-chlorophenyl)methyl]-N-methyl-2-naphthalen-2-ylsulfanylacetamide
CID 7535734
2-methyl-3-[methyl(1-naphthalen-2-ylethyl)amino]propanoic acid
CID 65072356
2-[methyl-(2-naphthalen-2-ylsulfanylacetyl)amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 7478627
2-[methyl-(2-naphthalen-2-ylsulfanylacetyl)amino]-N-(2-methylsulfanylphenyl)acetamide
CID 7780066
N-[(2,3-dichlorophenyl)methyl]-N-methyl-2-naphthalen-2-ylsulfanylacetamide
CID 7965506
N-(2-chlorophenyl)-2-[methyl-(2-naphthalen-2-ylsulfanylacetyl)amino]acetamide
CID 9409895
3-[ethyl-[2-(4-methylphenyl)sulfanylacetyl]amino]-2-methylpropanoic acid
CID 62826480
[(2R)-1-(N-methylanilino)-1-oxopropan-2-yl] 2-naphthalen-2-ylsulfanylacetate
CID 2541898
N-(2,5-dimethylphenyl)-2-[methyl-(2-naphthalen-2-ylsulfanylacetyl)amino]acetamide
CID 9041125
N,N-dimethyl-2-phenylsulfanylacetamide
CID 10921439

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[methyl-(2-naphthalen-2-ylsulfanylacetyl)amino]propanoic acid?
The IUPAC name of 2-methyl-3-[methyl-(2-naphthalen-2-ylsulfanylacetyl)amino]propanoic acid (CID 119228669) is 2-methyl-3-[methyl-(2-naphthalen-2-ylsulfanylacetyl)amino]propanoic acid.
What is the SMILES notation for 2-methyl-3-[methyl-(2-naphthalen-2-ylsulfanylacetyl)amino]propanoic acid?
The canonical SMILES for 2-methyl-3-[methyl-(2-naphthalen-2-ylsulfanylacetyl)amino]propanoic acid is CC(CN(C)C(=O)CSc1ccc2ccccc2c1)C(=O)O.
What is the InChIKey of 2-methyl-3-[methyl-(2-naphthalen-2-ylsulfanylacetyl)amino]propanoic acid?
The InChIKey is OVZCZTDOBKLZPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3S/c1-12(17(20)21)10-18(2)16(19)11-22-15-8-7-13-5-3-4-6-14(13)9-15/h3-9,12H,10-11H2,1-2H3,(H,20,21).
What are the key properties of 2-methyl-3-[methyl-(2-naphthalen-2-ylsulfanylacetyl)amino]propanoic acid?
2-methyl-3-[methyl-(2-naphthalen-2-ylsulfanylacetyl)amino]propanoic acid has a molecular weight of 317.41 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[methyl-(2-naphthalen-2-ylsulfanylacetyl)amino]propanoic acid is sourced from PubChem (CID 119228669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).