(2S)-2-amino-3-(5-bromo-4-methyl-2-pyridinyl)propanoic acid

C9H11BrN2O2 — CID 131053081

IUPAC(2S)-2-amino-3-(5-bromo-4-methyl-2-pyridinyl)propanoic acid
SMILESCc1cc(C[C@H](N)C(=O)O)ncc1Br
InChIInChI=1S/C9H11BrN2O2/c1-5-2-6(12-4-7(5)10)3-8(11)9(13)14/h2,4,8H,3,11H2,1H3,(H,13,14)/t8-/m0/s1
InChIKeyGYBNBHLEVZAAJX-QMMMGPOBSA-N
MW259.10 g/mol
LogP1.11
Rot. Bonds3

About (2S)-2-amino-3-(5-bromo-4-methyl-2-pyridinyl)propanoic acid

(2S)-2-amino-3-(5-bromo-4-methyl-2-pyridinyl)propanoic acid (PubChem CID 131053081) has the molecular formula C9H11BrN2O2 and a molecular weight of 259.10 g/mol. Its IUPAC name is (2S)-2-amino-3-(5-bromo-4-methyl-2-pyridinyl)propanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-(5-bromo-4-methyl-2-pyridinyl)propanoic acid
PubChem CID131053081
Molecular FormulaC9H11BrN2O2
Molecular Weight259.10 g/mol
Exact Mass258.00
IUPAC Name(2S)-2-amino-3-(5-bromo-4-methyl-2-pyridinyl)propanoic acid
SMILESCc1cc(C[C@H](N)C(=O)O)ncc1Br
InChIInChI=1S/C9H11BrN2O2/c1-5-2-6(12-4-7(5)10)3-8(11)9(13)14/h2,4,8H,3,11H2,1H3,(H,13,14)/t8-/m0/s1
InChIKeyGYBNBHLEVZAAJX-QMMMGPOBSA-N
XLogP1.11
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.10
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-(5-bromo-4-methyl-2-pyridinyl)propanoic acid?
The IUPAC name of (2S)-2-amino-3-(5-bromo-4-methyl-2-pyridinyl)propanoic acid (CID 131053081) is (2S)-2-amino-3-(5-bromo-4-methyl-2-pyridinyl)propanoic acid.
What is the SMILES notation for (2S)-2-amino-3-(5-bromo-4-methyl-2-pyridinyl)propanoic acid?
The canonical SMILES for (2S)-2-amino-3-(5-bromo-4-methyl-2-pyridinyl)propanoic acid is Cc1cc(C[C@H](N)C(=O)O)ncc1Br.
What is the InChIKey of (2S)-2-amino-3-(5-bromo-4-methyl-2-pyridinyl)propanoic acid?
The InChIKey is GYBNBHLEVZAAJX-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H11BrN2O2/c1-5-2-6(12-4-7(5)10)3-8(11)9(13)14/h2,4,8H,3,11H2,1H3,(H,13,14)/t8-/m0/s1.
What are the key properties of (2S)-2-amino-3-(5-bromo-4-methyl-2-pyridinyl)propanoic acid?
(2S)-2-amino-3-(5-bromo-4-methyl-2-pyridinyl)propanoic acid has a molecular weight of 259.10 g/mol, XLogP of 1.11, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-(5-bromo-4-methyl-2-pyridinyl)propanoic acid is sourced from PubChem (CID 131053081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).