3-amino-3-(6-fluoro-5-methyl-3-pyridinyl)propanoic acid

C9H11FN2O2 — CID 55272910

IUPAC3-amino-3-(6-fluoro-5-methyl-3-pyridinyl)propanoic acid
SMILESCc1cc(C(N)CC(=O)O)cnc1F
InChIInChI=1S/C9H11FN2O2/c1-5-2-6(4-12-9(5)10)7(11)3-8(13)14/h2,4,7H,3,11H2,1H3,(H,13,14)
InChIKeyAXRNQZDALSKHCQ-UHFFFAOYSA-N
MW198.20 g/mol
LogP1.00
Rot. Bonds3

About 3-amino-3-(6-fluoro-5-methyl-3-pyridinyl)propanoic acid

3-amino-3-(6-fluoro-5-methyl-3-pyridinyl)propanoic acid (PubChem CID 55272910) has the molecular formula C9H11FN2O2 and a molecular weight of 198.20 g/mol. Its IUPAC name is 3-amino-3-(6-fluoro-5-methyl-3-pyridinyl)propanoic acid.

Molecular Properties

Compound Name3-amino-3-(6-fluoro-5-methyl-3-pyridinyl)propanoic acid
PubChem CID55272910
Molecular FormulaC9H11FN2O2
Molecular Weight198.20 g/mol
Exact Mass198.08
IUPAC Name3-amino-3-(6-fluoro-5-methyl-3-pyridinyl)propanoic acid
SMILESCc1cc(C(N)CC(=O)O)cnc1F
InChIInChI=1S/C9H11FN2O2/c1-5-2-6(4-12-9(5)10)7(11)3-8(13)14/h2,4,7H,3,11H2,1H3,(H,13,14)
InChIKeyAXRNQZDALSKHCQ-UHFFFAOYSA-N
XLogP1.00
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 ≤ 51.00
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 3-amino-3-(6-fluoro-5-methyl-3-pyridinyl)propanoic acid?
The IUPAC name of 3-amino-3-(6-fluoro-5-methyl-3-pyridinyl)propanoic acid (CID 55272910) is 3-amino-3-(6-fluoro-5-methyl-3-pyridinyl)propanoic acid.
What is the SMILES notation for 3-amino-3-(6-fluoro-5-methyl-3-pyridinyl)propanoic acid?
The canonical SMILES for 3-amino-3-(6-fluoro-5-methyl-3-pyridinyl)propanoic acid is Cc1cc(C(N)CC(=O)O)cnc1F.
What is the InChIKey of 3-amino-3-(6-fluoro-5-methyl-3-pyridinyl)propanoic acid?
The InChIKey is AXRNQZDALSKHCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN2O2/c1-5-2-6(4-12-9(5)10)7(11)3-8(13)14/h2,4,7H,3,11H2,1H3,(H,13,14).
What are the key properties of 3-amino-3-(6-fluoro-5-methyl-3-pyridinyl)propanoic acid?
3-amino-3-(6-fluoro-5-methyl-3-pyridinyl)propanoic acid has a molecular weight of 198.20 g/mol, XLogP of 1.00, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-(6-fluoro-5-methyl-3-pyridinyl)propanoic acid is sourced from PubChem (CID 55272910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).