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

C8H9FN2O2 — CID 55293106

IUPAC(3R)-3-amino-3-(2-fluoro-3-pyridinyl)propanoic acid
SMILESN[C@H](CC(=O)O)c1cccnc1F
InChIInChI=1S/C8H9FN2O2/c9-8-5(2-1-3-11-8)6(10)4-7(12)13/h1-3,6H,4,10H2,(H,12,13)/t6-/m1/s1
InChIKeyQXQUFWGOWUVMPW-ZCFIWIBFSA-N
MW184.17 g/mol
LogP0.70
Rot. Bonds3

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

(3R)-3-amino-3-(2-fluoro-3-pyridinyl)propanoic acid (PubChem CID 55293106) has the molecular formula C8H9FN2O2 and a molecular weight of 184.17 g/mol. Its IUPAC name is (3R)-3-amino-3-(2-fluoro-3-pyridinyl)propanoic acid.

Molecular Properties

Compound Name(3R)-3-amino-3-(2-fluoro-3-pyridinyl)propanoic acid
PubChem CID55293106
Molecular FormulaC8H9FN2O2
Molecular Weight184.17 g/mol
Exact Mass184.06
IUPAC Name(3R)-3-amino-3-(2-fluoro-3-pyridinyl)propanoic acid
SMILESN[C@H](CC(=O)O)c1cccnc1F
InChIInChI=1S/C8H9FN2O2/c9-8-5(2-1-3-11-8)6(10)4-7(12)13/h1-3,6H,4,10H2,(H,12,13)/t6-/m1/s1
InChIKeyQXQUFWGOWUVMPW-ZCFIWIBFSA-N
XLogP0.70
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 ≤ 50.70
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

(4R)-4-amino-4-(2-fluoro-3-pyridinyl)butanoic acid
CID 55265569
3-amino-3-(2-chloro-3-pyridinyl)propanoic acid
CID 53417344
3-amino-3-quinolin-8-ylpropanoic acid
CID 53441937
(1S)-3,3,3-trifluoro-1-(2-fluoro-3-pyridinyl)propan-1-amine;hydrochloride
CID 171222927
(1S)-3,3-difluoro-1-(2-fluoro-3-pyridinyl)propan-1-amine;hydrochloride
CID 171312984
(1S)-1-(2-fluoro-3-pyridinyl)-2-methoxyethanamine
CID 55294134
(3S)-3-amino-3-(3-fluoro-2-methylphenyl)propanoic acid
CID 55272321
(1S)-1-(2-fluoro-3-pyridinyl)-3-methylbutan-1-amine;hydrochloride
CID 171222925
(1R)-4,4,4-trifluoro-1-(2-fluoro-3-pyridinyl)butan-1-amine;hydrochloride
CID 171203362
(1S)-4,4,4-trifluoro-1-(2-fluoro-3-pyridinyl)butan-1-amine;hydrochloride
CID 171222929
(1R)-1-(2-fluoro-3-pyridinyl)but-3-en-1-amine;hydrochloride
CID 171203354
(1R)-1-(2-fluoro-3-pyridinyl)butane-1,4-diamine;hydrochloride
CID 171203348

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-3-(2-fluoro-3-pyridinyl)propanoic acid?
The IUPAC name of (3R)-3-amino-3-(2-fluoro-3-pyridinyl)propanoic acid (CID 55293106) is (3R)-3-amino-3-(2-fluoro-3-pyridinyl)propanoic acid.
What is the SMILES notation for (3R)-3-amino-3-(2-fluoro-3-pyridinyl)propanoic acid?
The canonical SMILES for (3R)-3-amino-3-(2-fluoro-3-pyridinyl)propanoic acid is N[C@H](CC(=O)O)c1cccnc1F.
What is the InChIKey of (3R)-3-amino-3-(2-fluoro-3-pyridinyl)propanoic acid?
The InChIKey is QXQUFWGOWUVMPW-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H9FN2O2/c9-8-5(2-1-3-11-8)6(10)4-7(12)13/h1-3,6H,4,10H2,(H,12,13)/t6-/m1/s1.
What are the key properties of (3R)-3-amino-3-(2-fluoro-3-pyridinyl)propanoic acid?
(3R)-3-amino-3-(2-fluoro-3-pyridinyl)propanoic acid has a molecular weight of 184.17 g/mol, XLogP of 0.70, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-3-(2-fluoro-3-pyridinyl)propanoic acid is sourced from PubChem (CID 55293106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).