2-amino-3-[1-(2-fluorophenyl)pyrrol-2-yl]propanoic acid

C13H13FN2O2 — CID 170879350

IUPAC2-amino-3-[1-(2-fluorophenyl)pyrrol-2-yl]propanoic acid
SMILESNC(Cc1cccn1-c1ccccc1F)C(=O)O
InChIInChI=1S/C13H13FN2O2/c14-10-5-1-2-6-12(10)16-7-3-4-9(16)8-11(15)13(17)18/h1-7,11H,8,15H2,(H,17,18)
InChIKeyIYPZMACMJJDVPQ-UHFFFAOYSA-N
MW248.26 g/mol
LogP1.57
Rot. Bonds4

About 2-amino-3-[1-(2-fluorophenyl)pyrrol-2-yl]propanoic acid

2-amino-3-[1-(2-fluorophenyl)pyrrol-2-yl]propanoic acid (PubChem CID 170879350) has the molecular formula C13H13FN2O2 and a molecular weight of 248.26 g/mol. Its IUPAC name is 2-amino-3-[1-(2-fluorophenyl)pyrrol-2-yl]propanoic acid.

Molecular Properties

Compound Name2-amino-3-[1-(2-fluorophenyl)pyrrol-2-yl]propanoic acid
PubChem CID170879350
Molecular FormulaC13H13FN2O2
Molecular Weight248.26 g/mol
Exact Mass248.10
IUPAC Name2-amino-3-[1-(2-fluorophenyl)pyrrol-2-yl]propanoic acid
SMILESNC(Cc1cccn1-c1ccccc1F)C(=O)O
InChIInChI=1S/C13H13FN2O2/c14-10-5-1-2-6-12(10)16-7-3-4-9(16)8-11(15)13(17)18/h1-7,11H,8,15H2,(H,17,18)
InChIKeyIYPZMACMJJDVPQ-UHFFFAOYSA-N
XLogP1.57
TPSA68.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.26
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[1-(2-fluorophenyl)pyrrol-2-yl]propanoic acid?
The IUPAC name of 2-amino-3-[1-(2-fluorophenyl)pyrrol-2-yl]propanoic acid (CID 170879350) is 2-amino-3-[1-(2-fluorophenyl)pyrrol-2-yl]propanoic acid.
What is the SMILES notation for 2-amino-3-[1-(2-fluorophenyl)pyrrol-2-yl]propanoic acid?
The canonical SMILES for 2-amino-3-[1-(2-fluorophenyl)pyrrol-2-yl]propanoic acid is NC(Cc1cccn1-c1ccccc1F)C(=O)O.
What is the InChIKey of 2-amino-3-[1-(2-fluorophenyl)pyrrol-2-yl]propanoic acid?
The InChIKey is IYPZMACMJJDVPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O2/c14-10-5-1-2-6-12(10)16-7-3-4-9(16)8-11(15)13(17)18/h1-7,11H,8,15H2,(H,17,18).
What are the key properties of 2-amino-3-[1-(2-fluorophenyl)pyrrol-2-yl]propanoic acid?
2-amino-3-[1-(2-fluorophenyl)pyrrol-2-yl]propanoic acid has a molecular weight of 248.26 g/mol, XLogP of 1.57, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[1-(2-fluorophenyl)pyrrol-2-yl]propanoic acid is sourced from PubChem (CID 170879350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).