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

C12H11F2N3O3S — CID 155457938

IUPAC(2R)-2-amino-3-[[7-(difluoromethyl)thieno[3,2-b]pyridine-2-carbonyl]amino]propanoic acid
SMILESN[C@H](CNC(=O)c1cc2nccc(C(F)F)c2s1)C(=O)O
InChIInChI=1S/C12H11F2N3O3S/c13-10(14)5-1-2-16-7-3-8(21-9(5)7)11(18)17-4-6(15)12(19)20/h1-3,6,10H,4,15H2,(H,17,18)(H,19,20)/t6-/m1/s1
InChIKeyASWNPURWTQJVQD-ZCFIWIBFSA-N
MW315.30 g/mol
LogP1.38
Rot. Bonds5

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

(2R)-2-amino-3-[[7-(difluoromethyl)thieno[3,2-b]pyridine-2-carbonyl]amino]propanoic acid (PubChem CID 155457938) has the molecular formula C12H11F2N3O3S and a molecular weight of 315.30 g/mol. Its IUPAC name is (2R)-2-amino-3-[[7-(difluoromethyl)thieno[3,2-b]pyridine-2-carbonyl]amino]propanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-3-[[7-(difluoromethyl)thieno[3,2-b]pyridine-2-carbonyl]amino]propanoic acid
PubChem CID155457938
Molecular FormulaC12H11F2N3O3S
Molecular Weight315.30 g/mol
Exact Mass315.05
IUPAC Name(2R)-2-amino-3-[[7-(difluoromethyl)thieno[3,2-b]pyridine-2-carbonyl]amino]propanoic acid
SMILESN[C@H](CNC(=O)c1cc2nccc(C(F)F)c2s1)C(=O)O
InChIInChI=1S/C12H11F2N3O3S/c13-10(14)5-1-2-16-7-3-8(21-9(5)7)11(18)17-4-6(15)12(19)20/h1-3,6,10H,4,15H2,(H,17,18)(H,19,20)/t6-/m1/s1
InChIKeyASWNPURWTQJVQD-ZCFIWIBFSA-N
XLogP1.38
TPSA105.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.30
LogP ≤ 51.38
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-(difluoromethyl)thieno[3,2-b]pyridine-2-carbonyl]amino]propanoic acid?
The IUPAC name of (2R)-2-amino-3-[[7-(difluoromethyl)thieno[3,2-b]pyridine-2-carbonyl]amino]propanoic acid (CID 155457938) is (2R)-2-amino-3-[[7-(difluoromethyl)thieno[3,2-b]pyridine-2-carbonyl]amino]propanoic acid.
What is the SMILES notation for (2R)-2-amino-3-[[7-(difluoromethyl)thieno[3,2-b]pyridine-2-carbonyl]amino]propanoic acid?
The canonical SMILES for (2R)-2-amino-3-[[7-(difluoromethyl)thieno[3,2-b]pyridine-2-carbonyl]amino]propanoic acid is N[C@H](CNC(=O)c1cc2nccc(C(F)F)c2s1)C(=O)O.
What is the InChIKey of (2R)-2-amino-3-[[7-(difluoromethyl)thieno[3,2-b]pyridine-2-carbonyl]amino]propanoic acid?
The InChIKey is ASWNPURWTQJVQD-ZCFIWIBFSA-N. The full InChI is InChI=1S/C12H11F2N3O3S/c13-10(14)5-1-2-16-7-3-8(21-9(5)7)11(18)17-4-6(15)12(19)20/h1-3,6,10H,4,15H2,(H,17,18)(H,19,20)/t6-/m1/s1.
What are the key properties of (2R)-2-amino-3-[[7-(difluoromethyl)thieno[3,2-b]pyridine-2-carbonyl]amino]propanoic acid?
(2R)-2-amino-3-[[7-(difluoromethyl)thieno[3,2-b]pyridine-2-carbonyl]amino]propanoic acid has a molecular weight of 315.30 g/mol, XLogP of 1.38, 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-(difluoromethyl)thieno[3,2-b]pyridine-2-carbonyl]amino]propanoic acid is sourced from PubChem (CID 155457938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).