(2R)-2-amino-2-(6-fluoro-2-pyridinyl)propanoic acid

C8H9FN2O2 — CID 57286924

IUPAC(2R)-2-amino-2-(6-fluoro-2-pyridinyl)propanoic acid
SMILESC[C@](N)(C(=O)O)c1cccc(F)n1
InChIInChI=1S/C8H9FN2O2/c1-8(10,7(12)13)5-3-2-4-6(9)11-5/h2-4H,10H2,1H3,(H,12,13)/t8-/m1/s1
InChIKeyMWHRKXXAOQEIGM-MRVPVSSYSA-N
MW184.17 g/mol
LogP0.48
Rot. Bonds2

About (2R)-2-amino-2-(6-fluoro-2-pyridinyl)propanoic acid

(2R)-2-amino-2-(6-fluoro-2-pyridinyl)propanoic acid (PubChem CID 57286924) has the molecular formula C8H9FN2O2 and a molecular weight of 184.17 g/mol. Its IUPAC name is (2R)-2-amino-2-(6-fluoro-2-pyridinyl)propanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-2-(6-fluoro-2-pyridinyl)propanoic acid
PubChem CID57286924
Molecular FormulaC8H9FN2O2
Molecular Weight184.17 g/mol
Exact Mass184.06
IUPAC Name(2R)-2-amino-2-(6-fluoro-2-pyridinyl)propanoic acid
SMILESC[C@](N)(C(=O)O)c1cccc(F)n1
InChIInChI=1S/C8H9FN2O2/c1-8(10,7(12)13)5-3-2-4-6(9)11-5/h2-4H,10H2,1H3,(H,12,13)/t8-/m1/s1
InChIKeyMWHRKXXAOQEIGM-MRVPVSSYSA-N
XLogP0.48
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.17
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-(6-Fluoropyridin-2-YL)acetic acid
CID 53416327
2-Methyl-2-[6-(trifluoromethyl)pyridin-2-yl]propanoic acid
CID 82390165
2-(6-(Trifluoromethyl)pyridin-2-yl)acetic acid hydrochloride
CID 131676472
Lithium(1+) 2-(5,6-dimethylpyridin-2-yl)acetate
CID 165999881
Tert-butyl 2-(5-fluoro-6-methyl-2-pyridinyl)propanoate
CID 176430411
2-Pyridin-2-ylalanine
CID 4241373
(6-Methylpyridin-2-yl)acetic acid
CID 22165212
2,6-Pyridinediacetic acid
CID 23422430
2-(2,6-Dimethylpyridin-3-yl)acetic acid
CID 33728565
(Pyridyl)-methylaminobutyric acid
CID 69773957
(2R)-2-amino-2-quinolin-2-ylpropanoic acid
CID 91535369
2-(6-Cyano-3-methyl-2-pyridinyl)acetic acid
CID 118173883

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-(6-fluoro-2-pyridinyl)propanoic acid?
The IUPAC name of (2R)-2-amino-2-(6-fluoro-2-pyridinyl)propanoic acid (CID 57286924) is (2R)-2-amino-2-(6-fluoro-2-pyridinyl)propanoic acid.
What is the SMILES notation for (2R)-2-amino-2-(6-fluoro-2-pyridinyl)propanoic acid?
The canonical SMILES for (2R)-2-amino-2-(6-fluoro-2-pyridinyl)propanoic acid is C[C@](N)(C(=O)O)c1cccc(F)n1.
What is the InChIKey of (2R)-2-amino-2-(6-fluoro-2-pyridinyl)propanoic acid?
The InChIKey is MWHRKXXAOQEIGM-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H9FN2O2/c1-8(10,7(12)13)5-3-2-4-6(9)11-5/h2-4H,10H2,1H3,(H,12,13)/t8-/m1/s1.
What are the key properties of (2R)-2-amino-2-(6-fluoro-2-pyridinyl)propanoic acid?
(2R)-2-amino-2-(6-fluoro-2-pyridinyl)propanoic acid has a molecular weight of 184.17 g/mol, XLogP of 0.48, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-2-(6-fluoro-2-pyridinyl)propanoic acid is sourced from PubChem (CID 57286924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).