(2R)-2-amino-3-[[7-(fluoromethyl)thieno[3,2-b]pyridine-2-carbonyl]amino]propanoic acid

C12H12FN3O3S — CID 155457974

IUPAC(2R)-2-amino-3-[[7-(fluoromethyl)thieno[3,2-b]pyridine-2-carbonyl]amino]propanoic acid
SMILESN[C@H](CNC(=O)c1cc2nccc(CF)c2s1)C(=O)O
InChIInChI=1S/C12H12FN3O3S/c13-4-6-1-2-15-8-3-9(20-10(6)8)11(17)16-5-7(14)12(18)19/h1-3,7H,4-5,14H2,(H,16,17)(H,18,19)/t7-/m1/s1
InChIKeyRYQDODXKZXMXRZ-SSDOTTSWSA-N
MW297.31 g/mol
LogP0.91
Rot. Bonds5

About (2R)-2-amino-3-[[7-(fluoromethyl)thieno[3,2-b]pyridine-2-carbonyl]amino]propanoic acid

(2R)-2-amino-3-[[7-(fluoromethyl)thieno[3,2-b]pyridine-2-carbonyl]amino]propanoic acid (PubChem CID 155457974) has the molecular formula C12H12FN3O3S and a molecular weight of 297.31 g/mol. Its IUPAC name is (2R)-2-amino-3-[[7-(fluoromethyl)thieno[3,2-b]pyridine-2-carbonyl]amino]propanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-3-[[7-(fluoromethyl)thieno[3,2-b]pyridine-2-carbonyl]amino]propanoic acid
PubChem CID155457974
Molecular FormulaC12H12FN3O3S
Molecular Weight297.31 g/mol
Exact Mass297.06
IUPAC Name(2R)-2-amino-3-[[7-(fluoromethyl)thieno[3,2-b]pyridine-2-carbonyl]amino]propanoic acid
SMILESN[C@H](CNC(=O)c1cc2nccc(CF)c2s1)C(=O)O
InChIInChI=1S/C12H12FN3O3S/c13-4-6-1-2-15-8-3-9(20-10(6)8)11(17)16-5-7(14)12(18)19/h1-3,7H,4-5,14H2,(H,16,17)(H,18,19)/t7-/m1/s1
InChIKeyRYQDODXKZXMXRZ-SSDOTTSWSA-N
XLogP0.91
TPSA105.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 50.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-[[7-(fluoromethyl)thieno[3,2-b]pyridine-2-carbonyl]amino]propanoic acid?
The IUPAC name of (2R)-2-amino-3-[[7-(fluoromethyl)thieno[3,2-b]pyridine-2-carbonyl]amino]propanoic acid (CID 155457974) is (2R)-2-amino-3-[[7-(fluoromethyl)thieno[3,2-b]pyridine-2-carbonyl]amino]propanoic acid.
What is the SMILES notation for (2R)-2-amino-3-[[7-(fluoromethyl)thieno[3,2-b]pyridine-2-carbonyl]amino]propanoic acid?
The canonical SMILES for (2R)-2-amino-3-[[7-(fluoromethyl)thieno[3,2-b]pyridine-2-carbonyl]amino]propanoic acid is N[C@H](CNC(=O)c1cc2nccc(CF)c2s1)C(=O)O.
What is the InChIKey of (2R)-2-amino-3-[[7-(fluoromethyl)thieno[3,2-b]pyridine-2-carbonyl]amino]propanoic acid?
The InChIKey is RYQDODXKZXMXRZ-SSDOTTSWSA-N. The full InChI is InChI=1S/C12H12FN3O3S/c13-4-6-1-2-15-8-3-9(20-10(6)8)11(17)16-5-7(14)12(18)19/h1-3,7H,4-5,14H2,(H,16,17)(H,18,19)/t7-/m1/s1.
What are the key properties of (2R)-2-amino-3-[[7-(fluoromethyl)thieno[3,2-b]pyridine-2-carbonyl]amino]propanoic acid?
(2R)-2-amino-3-[[7-(fluoromethyl)thieno[3,2-b]pyridine-2-carbonyl]amino]propanoic acid has a molecular weight of 297.31 g/mol, XLogP of 0.91, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-[[7-(fluoromethyl)thieno[3,2-b]pyridine-2-carbonyl]amino]propanoic acid is sourced from PubChem (CID 155457974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).