2-amino-3-(3-fluoro-4-pyridinyl)propanoic acid

C8H9FN2O2 — CID 55267324

IUPAC2-amino-3-(3-fluoro-4-pyridinyl)propanoic acid
SMILESNC(Cc1ccncc1F)C(=O)O
InChIInChI=1S/C8H9FN2O2/c9-6-4-11-2-1-5(6)3-7(10)8(12)13/h1-2,4,7H,3,10H2,(H,12,13)
InChIKeyQSXTUHPQQNCJMM-UHFFFAOYSA-N
MW184.17 g/mol
LogP0.18
Rot. Bonds3

About 2-amino-3-(3-fluoro-4-pyridinyl)propanoic acid

2-amino-3-(3-fluoro-4-pyridinyl)propanoic acid (PubChem CID 55267324) has the molecular formula C8H9FN2O2 and a molecular weight of 184.17 g/mol. Its IUPAC name is 2-amino-3-(3-fluoro-4-pyridinyl)propanoic acid.

Molecular Properties

Compound Name2-amino-3-(3-fluoro-4-pyridinyl)propanoic acid
PubChem CID55267324
Molecular FormulaC8H9FN2O2
Molecular Weight184.17 g/mol
Exact Mass184.06
IUPAC Name2-amino-3-(3-fluoro-4-pyridinyl)propanoic acid
SMILESNC(Cc1ccncc1F)C(=O)O
InChIInChI=1S/C8H9FN2O2/c9-6-4-11-2-1-5(6)3-7(10)8(12)13/h1-2,4,7H,3,10H2,(H,12,13)
InChIKeyQSXTUHPQQNCJMM-UHFFFAOYSA-N
XLogP0.18
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.17
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-3-(3-chloro-4-pyridinyl)propanoic acid
CID 103693022
(2S)-2-amino-3-(2-fluorophenyl)propanoic acid
CID 716319
(2S)-2-amino-3-(4-cyano-3-pyridinyl)propanoic acid
CID 130672000
bis(2-amino-3-(2-fluorophenyl)propanoic acid);hydrate
CID 78291296
2-amino-3-(2,5-difluoro-4-pyridinyl)propanoic acid
CID 84670465
3-(3-fluoro-4-pyridinyl)propanoic acid
CID 84653318
2-amino-3-(2-fluoro-5-hydroxyphenyl)propanoic acid
CID 14211589
(2S)-2-amino-3-(2,4-difluoro-3-iodophenyl)propanoic acid
CID 90411427
(2S)-2-amino-3-(2-fluoro-5-iodophenyl)propanoic acid
CID 130612428
(2S)-2-amino-3-(2-amino-3-fluorophenyl)propanoic acid
CID 55270399
2-amino-3-(4-borono-2-fluorophenyl)propanoic acid
CID 10092781
2-amino-3-(3,5-difluoro-2,4-dimethylphenyl)propanoic acid
CID 84792629

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(3-fluoro-4-pyridinyl)propanoic acid?
The IUPAC name of 2-amino-3-(3-fluoro-4-pyridinyl)propanoic acid (CID 55267324) is 2-amino-3-(3-fluoro-4-pyridinyl)propanoic acid.
What is the SMILES notation for 2-amino-3-(3-fluoro-4-pyridinyl)propanoic acid?
The canonical SMILES for 2-amino-3-(3-fluoro-4-pyridinyl)propanoic acid is NC(Cc1ccncc1F)C(=O)O.
What is the InChIKey of 2-amino-3-(3-fluoro-4-pyridinyl)propanoic acid?
The InChIKey is QSXTUHPQQNCJMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FN2O2/c9-6-4-11-2-1-5(6)3-7(10)8(12)13/h1-2,4,7H,3,10H2,(H,12,13).
What are the key properties of 2-amino-3-(3-fluoro-4-pyridinyl)propanoic acid?
2-amino-3-(3-fluoro-4-pyridinyl)propanoic acid has a molecular weight of 184.17 g/mol, XLogP of 0.18, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(3-fluoro-4-pyridinyl)propanoic acid is sourced from PubChem (CID 55267324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).