(3R)-3-amino-3-(5-bromo-3-fluoro-2-pyridinyl)butanoic acid

C9H10BrFN2O2 — CID 131538063

IUPAC(3R)-3-amino-3-(5-bromo-3-fluoro-2-pyridinyl)butanoic acid
SMILESC[C@@](N)(CC(=O)O)c1ncc(Br)cc1F
InChIInChI=1S/C9H10BrFN2O2/c1-9(12,3-7(14)15)8-6(11)2-5(10)4-13-8/h2,4H,3,12H2,1H3,(H,14,15)/t9-/m1/s1
InChIKeyWWTDHPHIZMYVKN-SECBINFHSA-N
MW277.09 g/mol
LogP1.63
Rot. Bonds3

About (3R)-3-amino-3-(5-bromo-3-fluoro-2-pyridinyl)butanoic acid

(3R)-3-amino-3-(5-bromo-3-fluoro-2-pyridinyl)butanoic acid (PubChem CID 131538063) has the molecular formula C9H10BrFN2O2 and a molecular weight of 277.09 g/mol. Its IUPAC name is (3R)-3-amino-3-(5-bromo-3-fluoro-2-pyridinyl)butanoic acid.

Molecular Properties

Compound Name(3R)-3-amino-3-(5-bromo-3-fluoro-2-pyridinyl)butanoic acid
PubChem CID131538063
Molecular FormulaC9H10BrFN2O2
Molecular Weight277.09 g/mol
Exact Mass275.99
IUPAC Name(3R)-3-amino-3-(5-bromo-3-fluoro-2-pyridinyl)butanoic acid
SMILESC[C@@](N)(CC(=O)O)c1ncc(Br)cc1F
InChIInChI=1S/C9H10BrFN2O2/c1-9(12,3-7(14)15)8-6(11)2-5(10)4-13-8/h2,4H,3,12H2,1H3,(H,14,15)/t9-/m1/s1
InChIKeyWWTDHPHIZMYVKN-SECBINFHSA-N
XLogP1.63
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.09
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(5-Bromopyridin-2-yl)propanoic acid
CID 68672944
Methyl 3-amino-3-(pyridin-2-yl)butanoate
CID 75356319
3-(3-Bromopyridin-2-yl)-3,3-difluoropropanoic acid
CID 165648122
2-Amino-5-fluoro-2-pyridin-2-ylpentanoic acid
CID 18439530
2-(5-Bromo-3-fluoro-2-pyridinyl)-3-methoxy-3-oxopropanoic acid
CID 66967756
2-(5-Bromo-3-fluoropyridin-2-yl)acetic acid
CID 66968052
1-(5-Bromopyridin-2-YL)cyclobutanecarboxylic acid
CID 67973232
2-Amino-4-fluoro-2-pyridin-2-ylpentanoic acid
CID 69492769
2-Amino-2-[3-(2-fluoroethyl)-2-pyridinyl]propanoic acid
CID 69492770
3-(3-Fluoropyridin-2-yl)butanoic acid
CID 83389251
1-(5-Bromo-3-fluoropyridin-2-yl)cyclopropane-1-carboxylic acid
CID 89586450
tert-butyl (3S)-3-(4-bromo-2-pyridinyl)-3-[[(R)-tert-butylsulfinyl]amino]-4-fluorobutanoate
CID 89986099

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-3-(5-bromo-3-fluoro-2-pyridinyl)butanoic acid?
The IUPAC name of (3R)-3-amino-3-(5-bromo-3-fluoro-2-pyridinyl)butanoic acid (CID 131538063) is (3R)-3-amino-3-(5-bromo-3-fluoro-2-pyridinyl)butanoic acid.
What is the SMILES notation for (3R)-3-amino-3-(5-bromo-3-fluoro-2-pyridinyl)butanoic acid?
The canonical SMILES for (3R)-3-amino-3-(5-bromo-3-fluoro-2-pyridinyl)butanoic acid is C[C@@](N)(CC(=O)O)c1ncc(Br)cc1F.
What is the InChIKey of (3R)-3-amino-3-(5-bromo-3-fluoro-2-pyridinyl)butanoic acid?
The InChIKey is WWTDHPHIZMYVKN-SECBINFHSA-N. The full InChI is InChI=1S/C9H10BrFN2O2/c1-9(12,3-7(14)15)8-6(11)2-5(10)4-13-8/h2,4H,3,12H2,1H3,(H,14,15)/t9-/m1/s1.
What are the key properties of (3R)-3-amino-3-(5-bromo-3-fluoro-2-pyridinyl)butanoic acid?
(3R)-3-amino-3-(5-bromo-3-fluoro-2-pyridinyl)butanoic acid has a molecular weight of 277.09 g/mol, XLogP of 1.63, 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-(5-bromo-3-fluoro-2-pyridinyl)butanoic acid is sourced from PubChem (CID 131538063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).