2-amino-3-[4-(2-fluoroethyl)-2-pyridinyl]propanoic acid

C10H13FN2O2 — CID 69490346

IUPAC2-amino-3-[4-(2-fluoroethyl)-2-pyridinyl]propanoic acid
SMILESNC(Cc1cc(CCF)ccn1)C(=O)O
InChIInChI=1S/C10H13FN2O2/c11-3-1-7-2-4-13-8(5-7)6-9(12)10(14)15/h2,4-5,9H,1,3,6,12H2,(H,14,15)
InChIKeyYSRCALCUHWMBOJ-UHFFFAOYSA-N
MW212.22 g/mol
LogP0.55
Rot. Bonds5

About 2-amino-3-[4-(2-fluoroethyl)-2-pyridinyl]propanoic acid

2-amino-3-[4-(2-fluoroethyl)-2-pyridinyl]propanoic acid (PubChem CID 69490346) has the molecular formula C10H13FN2O2 and a molecular weight of 212.22 g/mol. Its IUPAC name is 2-amino-3-[4-(2-fluoroethyl)-2-pyridinyl]propanoic acid.

Molecular Properties

Compound Name2-amino-3-[4-(2-fluoroethyl)-2-pyridinyl]propanoic acid
PubChem CID69490346
Molecular FormulaC10H13FN2O2
Molecular Weight212.22 g/mol
Exact Mass212.10
IUPAC Name2-amino-3-[4-(2-fluoroethyl)-2-pyridinyl]propanoic acid
SMILESNC(Cc1cc(CCF)ccn1)C(=O)O
InChIInChI=1S/C10H13FN2O2/c11-3-1-7-2-4-13-8(5-7)6-9(12)10(14)15/h2,4-5,9H,1,3,6,12H2,(H,14,15)
InChIKeyYSRCALCUHWMBOJ-UHFFFAOYSA-N
XLogP0.55
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.22
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

L-4-Pyridylalanine
CID 7009701
Isodesmosine
CID 13811
3-Pyridinebutanoic acid
CID 114
3-(3-Pyridyl)alanine
CID 152953
3-(Pyridin-2-yl)propanoic acid
CID 564292
4-(Methylnitrosamino)-4-(3-pyridyl)butyric acid
CID 115108
4-{[(Pyridin-4-ylmethyl)amino]methyl}cyclohexanecarboxylic acid
CID 5210552
CID 12904539
CID 12904539
2-Azaniumyl-6-[2-(4-azaniumyl-4-carboxylatobutyl)-3,5-bis(3-azaniumyl-3-carboxylatopropyl)pyridin-1-ium-1-yl]hexanoate
CID 131841551
3-Amino-3-(pyridin-3-yl)propanoic acid
CID 3606547
3-(3-Methylpyridin-2-yl)propanoic acid
CID 28924889
6-[(Pyridin-4-ylmethyl)amino]hexanoic acid
CID 3240263

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[4-(2-fluoroethyl)-2-pyridinyl]propanoic acid?
The IUPAC name of 2-amino-3-[4-(2-fluoroethyl)-2-pyridinyl]propanoic acid (CID 69490346) is 2-amino-3-[4-(2-fluoroethyl)-2-pyridinyl]propanoic acid.
What is the SMILES notation for 2-amino-3-[4-(2-fluoroethyl)-2-pyridinyl]propanoic acid?
The canonical SMILES for 2-amino-3-[4-(2-fluoroethyl)-2-pyridinyl]propanoic acid is NC(Cc1cc(CCF)ccn1)C(=O)O.
What is the InChIKey of 2-amino-3-[4-(2-fluoroethyl)-2-pyridinyl]propanoic acid?
The InChIKey is YSRCALCUHWMBOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2O2/c11-3-1-7-2-4-13-8(5-7)6-9(12)10(14)15/h2,4-5,9H,1,3,6,12H2,(H,14,15).
What are the key properties of 2-amino-3-[4-(2-fluoroethyl)-2-pyridinyl]propanoic acid?
2-amino-3-[4-(2-fluoroethyl)-2-pyridinyl]propanoic acid has a molecular weight of 212.22 g/mol, XLogP of 0.55, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[4-(2-fluoroethyl)-2-pyridinyl]propanoic acid is sourced from PubChem (CID 69490346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).