(2R)-2-amino-2-(6-bromo-5-methyl-3-pyridinyl)propanoic acid

C9H11BrN2O2 — CID 131122855

IUPAC(2R)-2-amino-2-(6-bromo-5-methyl-3-pyridinyl)propanoic acid
SMILESCc1cc([C@@](C)(N)C(=O)O)cnc1Br
InChIInChI=1S/C9H11BrN2O2/c1-5-3-6(4-12-7(5)10)9(2,11)8(13)14/h3-4H,11H2,1-2H3,(H,13,14)/t9-/m1/s1
InChIKeyULSSSXWINWFBBX-SECBINFHSA-N
MW259.10 g/mol
LogP1.41
Rot. Bonds2

About (2R)-2-amino-2-(6-bromo-5-methyl-3-pyridinyl)propanoic acid

(2R)-2-amino-2-(6-bromo-5-methyl-3-pyridinyl)propanoic acid (PubChem CID 131122855) has the molecular formula C9H11BrN2O2 and a molecular weight of 259.10 g/mol. Its IUPAC name is (2R)-2-amino-2-(6-bromo-5-methyl-3-pyridinyl)propanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-2-(6-bromo-5-methyl-3-pyridinyl)propanoic acid
PubChem CID131122855
Molecular FormulaC9H11BrN2O2
Molecular Weight259.10 g/mol
Exact Mass258.00
IUPAC Name(2R)-2-amino-2-(6-bromo-5-methyl-3-pyridinyl)propanoic acid
SMILESCc1cc([C@@](C)(N)C(=O)O)cnc1Br
InChIInChI=1S/C9H11BrN2O2/c1-5-3-6(4-12-7(5)10)9(2,11)8(13)14/h3-4H,11H2,1-2H3,(H,13,14)/t9-/m1/s1
InChIKeyULSSSXWINWFBBX-SECBINFHSA-N
XLogP1.41
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.10
LogP ≤ 51.41
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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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-(6-bromo-5-methyl-3-pyridinyl)propanoic acid?
The IUPAC name of (2R)-2-amino-2-(6-bromo-5-methyl-3-pyridinyl)propanoic acid (CID 131122855) is (2R)-2-amino-2-(6-bromo-5-methyl-3-pyridinyl)propanoic acid.
What is the SMILES notation for (2R)-2-amino-2-(6-bromo-5-methyl-3-pyridinyl)propanoic acid?
The canonical SMILES for (2R)-2-amino-2-(6-bromo-5-methyl-3-pyridinyl)propanoic acid is Cc1cc([C@@](C)(N)C(=O)O)cnc1Br.
What is the InChIKey of (2R)-2-amino-2-(6-bromo-5-methyl-3-pyridinyl)propanoic acid?
The InChIKey is ULSSSXWINWFBBX-SECBINFHSA-N. The full InChI is InChI=1S/C9H11BrN2O2/c1-5-3-6(4-12-7(5)10)9(2,11)8(13)14/h3-4H,11H2,1-2H3,(H,13,14)/t9-/m1/s1.
What are the key properties of (2R)-2-amino-2-(6-bromo-5-methyl-3-pyridinyl)propanoic acid?
(2R)-2-amino-2-(6-bromo-5-methyl-3-pyridinyl)propanoic acid has a molecular weight of 259.10 g/mol, XLogP of 1.41, 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-bromo-5-methyl-3-pyridinyl)propanoic acid is sourced from PubChem (CID 131122855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).