2-amino-2-(2-iodonaphthalen-1-yl)propanoic acid

C13H12INO2 — CID 22023715

IUPAC2-amino-2-(2-iodonaphthalen-1-yl)propanoic acid
SMILESCC(N)(C(=O)O)c1c(I)ccc2ccccc12
InChIInChI=1S/C13H12INO2/c1-13(15,12(16)17)11-9-5-3-2-4-8(9)6-7-10(11)14/h2-7H,15H2,1H3,(H,16,17)
InChIKeyHURFPBWGCRTRQJ-UHFFFAOYSA-N
MW341.15 g/mol
LogP2.70
Rot. Bonds2

About 2-amino-2-(2-iodonaphthalen-1-yl)propanoic acid

2-amino-2-(2-iodonaphthalen-1-yl)propanoic acid (PubChem CID 22023715) has the molecular formula C13H12INO2 and a molecular weight of 341.15 g/mol. Its IUPAC name is 2-amino-2-(2-iodonaphthalen-1-yl)propanoic acid.

Molecular Properties

Compound Name2-amino-2-(2-iodonaphthalen-1-yl)propanoic acid
PubChem CID22023715
Molecular FormulaC13H12INO2
Molecular Weight341.15 g/mol
Exact Mass340.99
IUPAC Name2-amino-2-(2-iodonaphthalen-1-yl)propanoic acid
SMILESCC(N)(C(=O)O)c1c(I)ccc2ccccc12
InChIInChI=1S/C13H12INO2/c1-13(15,12(16)17)11-9-5-3-2-4-8(9)6-7-10(11)14/h2-7H,15H2,1H3,(H,16,17)
InChIKeyHURFPBWGCRTRQJ-UHFFFAOYSA-N
XLogP2.70
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.15
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(2-iodonaphthalen-1-yl)propanoic acid?
The IUPAC name of 2-amino-2-(2-iodonaphthalen-1-yl)propanoic acid (CID 22023715) is 2-amino-2-(2-iodonaphthalen-1-yl)propanoic acid.
What is the SMILES notation for 2-amino-2-(2-iodonaphthalen-1-yl)propanoic acid?
The canonical SMILES for 2-amino-2-(2-iodonaphthalen-1-yl)propanoic acid is CC(N)(C(=O)O)c1c(I)ccc2ccccc12.
What is the InChIKey of 2-amino-2-(2-iodonaphthalen-1-yl)propanoic acid?
The InChIKey is HURFPBWGCRTRQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12INO2/c1-13(15,12(16)17)11-9-5-3-2-4-8(9)6-7-10(11)14/h2-7H,15H2,1H3,(H,16,17).
What are the key properties of 2-amino-2-(2-iodonaphthalen-1-yl)propanoic acid?
2-amino-2-(2-iodonaphthalen-1-yl)propanoic acid has a molecular weight of 341.15 g/mol, XLogP of 2.70, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(2-iodonaphthalen-1-yl)propanoic acid is sourced from PubChem (CID 22023715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).