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

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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).