(3R)-3-amino-3-(2-fluoro-4-pyridinyl)butanoic acid

C9H11FN2O2 — CID 55270877

IUPAC(3R)-3-amino-3-(2-fluoro-4-pyridinyl)butanoic acid
SMILESC[C@@](N)(CC(=O)O)c1ccnc(F)c1
InChIInChI=1S/C9H11FN2O2/c1-9(11,5-8(13)14)6-2-3-12-7(10)4-6/h2-4H,5,11H2,1H3,(H,13,14)/t9-/m1/s1
InChIKeyGLLBYVVKLRLLOC-SECBINFHSA-N
MW198.20 g/mol
LogP0.87
Rot. Bonds3

About (3R)-3-amino-3-(2-fluoro-4-pyridinyl)butanoic acid

(3R)-3-amino-3-(2-fluoro-4-pyridinyl)butanoic acid (PubChem CID 55270877) has the molecular formula C9H11FN2O2 and a molecular weight of 198.20 g/mol. Its IUPAC name is (3R)-3-amino-3-(2-fluoro-4-pyridinyl)butanoic acid.

Molecular Properties

Compound Name(3R)-3-amino-3-(2-fluoro-4-pyridinyl)butanoic acid
PubChem CID55270877
Molecular FormulaC9H11FN2O2
Molecular Weight198.20 g/mol
Exact Mass198.08
IUPAC Name(3R)-3-amino-3-(2-fluoro-4-pyridinyl)butanoic acid
SMILESC[C@@](N)(CC(=O)O)c1ccnc(F)c1
InChIInChI=1S/C9H11FN2O2/c1-9(11,5-8(13)14)6-2-3-12-7(10)4-6/h2-4H,5,11H2,1H3,(H,13,14)/t9-/m1/s1
InChIKeyGLLBYVVKLRLLOC-SECBINFHSA-N
XLogP0.87
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.20
LogP ≤ 50.87
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

3-amino-3-(2-fluoro-4-pyridinyl)butanoic acid
CID 55271549
3-amino-3-(2-amino-4-pyridinyl)butanoic acid
CID 55268845
ethyl 2,2-difluoro-2-(2-fluoro-4-pyridinyl)acetate
CID 170947614
3-amino-3-(4-ethoxy-3-fluorophenyl)butanoic acid
CID 82292934
3-amino-3-(4-methyl-2-pyridinyl)butanoic acid
CID 55295646
(3S)-3-amino-3-(4-methyl-2-pyridinyl)butanoic acid
CID 130771167
3-amino-3-(3-chlorophenyl)butanoic acid
CID 64664943
3-amino-3-(6-fluoro-2-pyridinyl)butanoic acid
CID 55272157
(3R)-3-amino-3-(6-fluoro-2-pyridinyl)butanoic acid
CID 55271111
3-amino-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]butanoic acid
CID 82297847
3-amino-3-(3-bromophenyl)butanoic acid;2,2,2-trifluoroacetic acid
CID 129071634
(3R)-3-amino-3-(5-methyl-3-pyridinyl)butanoic acid
CID 55295835

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-3-(2-fluoro-4-pyridinyl)butanoic acid?
The IUPAC name of (3R)-3-amino-3-(2-fluoro-4-pyridinyl)butanoic acid (CID 55270877) is (3R)-3-amino-3-(2-fluoro-4-pyridinyl)butanoic acid.
What is the SMILES notation for (3R)-3-amino-3-(2-fluoro-4-pyridinyl)butanoic acid?
The canonical SMILES for (3R)-3-amino-3-(2-fluoro-4-pyridinyl)butanoic acid is C[C@@](N)(CC(=O)O)c1ccnc(F)c1.
What is the InChIKey of (3R)-3-amino-3-(2-fluoro-4-pyridinyl)butanoic acid?
The InChIKey is GLLBYVVKLRLLOC-SECBINFHSA-N. The full InChI is InChI=1S/C9H11FN2O2/c1-9(11,5-8(13)14)6-2-3-12-7(10)4-6/h2-4H,5,11H2,1H3,(H,13,14)/t9-/m1/s1.
What are the key properties of (3R)-3-amino-3-(2-fluoro-4-pyridinyl)butanoic acid?
(3R)-3-amino-3-(2-fluoro-4-pyridinyl)butanoic acid has a molecular weight of 198.20 g/mol, XLogP of 0.87, 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-4-pyridinyl)butanoic acid is sourced from PubChem (CID 55270877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).