(4R)-4-amino-4-(6-fluoro-3-pyridinyl)butanoic acid

C9H11FN2O2 — CID 55265570

IUPAC(4R)-4-amino-4-(6-fluoro-3-pyridinyl)butanoic acid
SMILESN[C@H](CCC(=O)O)c1ccc(F)nc1
InChIInChI=1S/C9H11FN2O2/c10-8-3-1-6(5-12-8)7(11)2-4-9(13)14/h1,3,5,7H,2,4,11H2,(H,13,14)/t7-/m1/s1
InChIKeyOVLQRDGTYZAMHF-SSDOTTSWSA-N
MW198.20 g/mol
LogP1.09
Rot. Bonds4

About (4R)-4-amino-4-(6-fluoro-3-pyridinyl)butanoic acid

(4R)-4-amino-4-(6-fluoro-3-pyridinyl)butanoic acid (PubChem CID 55265570) has the molecular formula C9H11FN2O2 and a molecular weight of 198.20 g/mol. Its IUPAC name is (4R)-4-amino-4-(6-fluoro-3-pyridinyl)butanoic acid.

Molecular Properties

Compound Name(4R)-4-amino-4-(6-fluoro-3-pyridinyl)butanoic acid
PubChem CID55265570
Molecular FormulaC9H11FN2O2
Molecular Weight198.20 g/mol
Exact Mass198.08
IUPAC Name(4R)-4-amino-4-(6-fluoro-3-pyridinyl)butanoic acid
SMILESN[C@H](CCC(=O)O)c1ccc(F)nc1
InChIInChI=1S/C9H11FN2O2/c10-8-3-1-6(5-12-8)7(11)2-4-9(13)14/h1,3,5,7H,2,4,11H2,(H,13,14)/t7-/m1/s1
InChIKeyOVLQRDGTYZAMHF-SSDOTTSWSA-N
XLogP1.09
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.20
LogP ≤ 51.09
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

(4S)-4-amino-4-(6-amino-3-pyridinyl)butanoic acid
CID 55269109
(4R)-4-amino-4-pyridin-4-ylbutanoic acid;dihydrochloride
CID 171338117
4-amino-4-[4-(2,2-difluoroethyl)phenyl]butanoic acid
CID 117359457
(3R)-3-amino-3-(6-fluoro-3-pyridinyl)propanenitrile
CID 55276182
(4R)-4-amino-4-(4-tert-butylphenyl)butanoic acid
CID 28744369
4-amino-4-[4-(difluoromethoxy)phenyl]butanoic acid
CID 117364214
4-amino-4-[4-(triazol-2-yl)phenyl]butanoic acid
CID 117367766
(4R)-4-amino-4-(2-fluoro-3-pyridinyl)butanoic acid
CID 55265569
4-amino-4-quinolin-6-ylbutanoic acid
CID 84693454
4-amino-4-(4-methoxyphenyl)butanoic acid;hydrochloride
CID 71757574
(4R)-4-amino-4-(4-phenoxyphenyl)butanoic acid
CID 28744353
4-amino-4-(5-amino-3-pyridinyl)butanoic acid
CID 55269479

Frequently Asked Questions

What is the IUPAC name of (4R)-4-amino-4-(6-fluoro-3-pyridinyl)butanoic acid?
The IUPAC name of (4R)-4-amino-4-(6-fluoro-3-pyridinyl)butanoic acid (CID 55265570) is (4R)-4-amino-4-(6-fluoro-3-pyridinyl)butanoic acid.
What is the SMILES notation for (4R)-4-amino-4-(6-fluoro-3-pyridinyl)butanoic acid?
The canonical SMILES for (4R)-4-amino-4-(6-fluoro-3-pyridinyl)butanoic acid is N[C@H](CCC(=O)O)c1ccc(F)nc1.
What is the InChIKey of (4R)-4-amino-4-(6-fluoro-3-pyridinyl)butanoic acid?
The InChIKey is OVLQRDGTYZAMHF-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H11FN2O2/c10-8-3-1-6(5-12-8)7(11)2-4-9(13)14/h1,3,5,7H,2,4,11H2,(H,13,14)/t7-/m1/s1.
What are the key properties of (4R)-4-amino-4-(6-fluoro-3-pyridinyl)butanoic acid?
(4R)-4-amino-4-(6-fluoro-3-pyridinyl)butanoic acid has a molecular weight of 198.20 g/mol, XLogP of 1.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-amino-4-(6-fluoro-3-pyridinyl)butanoic acid is sourced from PubChem (CID 55265570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).