2-methyl-2-(5-naphthalen-2-yltriazol-1-yl)propanoic acid

C16H15N3O2 — CID 82222150

IUPAC2-methyl-2-(5-naphthalen-2-yltriazol-1-yl)propanoic acid
SMILESCC(C)(C(=O)O)n1nncc1-c1ccc2ccccc2c1
InChIInChI=1S/C16H15N3O2/c1-16(2,15(20)21)19-14(10-17-18-19)13-8-7-11-5-3-4-6-12(11)9-13/h3-10H,1-2H3,(H,20,21)
InChIKeyLFYXNQIVNRUZKR-UHFFFAOYSA-N
MW281.31 g/mol
LogP2.92
Rot. Bonds3

About 2-methyl-2-(5-naphthalen-2-yltriazol-1-yl)propanoic acid

2-methyl-2-(5-naphthalen-2-yltriazol-1-yl)propanoic acid (PubChem CID 82222150) has the molecular formula C16H15N3O2 and a molecular weight of 281.31 g/mol. Its IUPAC name is 2-methyl-2-(5-naphthalen-2-yltriazol-1-yl)propanoic acid.

Molecular Properties

Compound Name2-methyl-2-(5-naphthalen-2-yltriazol-1-yl)propanoic acid
PubChem CID82222150
Molecular FormulaC16H15N3O2
Molecular Weight281.31 g/mol
Exact Mass281.12
IUPAC Name2-methyl-2-(5-naphthalen-2-yltriazol-1-yl)propanoic acid
SMILESCC(C)(C(=O)O)n1nncc1-c1ccc2ccccc2c1
InChIInChI=1S/C16H15N3O2/c1-16(2,15(20)21)19-14(10-17-18-19)13-8-7-11-5-3-4-6-12(11)9-13/h3-10H,1-2H3,(H,20,21)
InChIKeyLFYXNQIVNRUZKR-UHFFFAOYSA-N
XLogP2.92
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-methyl-2-(5-naphthalen-2-yltriazol-1-yl)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

4-[(5-naphthalen-2-yltriazol-1-yl)methyl]aniline
CID 82222156
2-methyl-2-[(4-naphthalen-2-yl-3-pyridinyl)sulfanyl]propanoic acid
CID 70650330
tert-butyl 2-naphthalen-2-ylpyrrolo[2,3-c]pyridine-1-carboxylate
CID 16741844
2-methyl-2-(5-quinolin-6-yltetrazol-1-yl)propanoic acid
CID 66040593
2-tert-butyl-4-naphthalen-2-yl-1,3-thiazole-5-carboxylic acid
CID 69475453
3-(3-tert-butyltriazol-4-yl)-5-fluorobenzoic acid
CID 164527758
1-(5-naphthalen-2-yl-2,3-diphenylpyrrol-1-yl)ethanone
CID 102525909
tert-butyl 2,5-bis(4-naphthalen-2-ylphenyl)pyrrole-1-carboxylate
CID 102110847
1-(2-methyl-5-naphthalen-2-yl-1-phenylpyrrol-3-yl)ethanone
CID 132600497
2-(dimethylamino)-2-naphthalen-2-ylpropanoic acid
CID 43803122
3-[5-(3,4-dimethylphenyl)triazol-1-yl]benzoic acid
CID 82221979
2,4-dinaphthalen-2-yl-6-[6-[3-(3-phenylphenyl)phenyl]naphthalen-2-yl]-1,3,5-triazine
CID 164745871

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(5-naphthalen-2-yltriazol-1-yl)propanoic acid?
The IUPAC name of 2-methyl-2-(5-naphthalen-2-yltriazol-1-yl)propanoic acid (CID 82222150) is 2-methyl-2-(5-naphthalen-2-yltriazol-1-yl)propanoic acid.
What is the SMILES notation for 2-methyl-2-(5-naphthalen-2-yltriazol-1-yl)propanoic acid?
The canonical SMILES for 2-methyl-2-(5-naphthalen-2-yltriazol-1-yl)propanoic acid is CC(C)(C(=O)O)n1nncc1-c1ccc2ccccc2c1.
What is the InChIKey of 2-methyl-2-(5-naphthalen-2-yltriazol-1-yl)propanoic acid?
The InChIKey is LFYXNQIVNRUZKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-16(2,15(20)21)19-14(10-17-18-19)13-8-7-11-5-3-4-6-12(11)9-13/h3-10H,1-2H3,(H,20,21).
What are the key properties of 2-methyl-2-(5-naphthalen-2-yltriazol-1-yl)propanoic acid?
2-methyl-2-(5-naphthalen-2-yltriazol-1-yl)propanoic acid has a molecular weight of 281.31 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(5-naphthalen-2-yltriazol-1-yl)propanoic acid is sourced from PubChem (CID 82222150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).