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

C12H10F3N3O3S — CID 155458096

IUPAC(2R)-2-amino-3-[[7-(trifluoromethyl)thieno[3,2-b]pyridine-2-carbonyl]amino]propanoic acid
SMILESN[C@H](CNC(=O)c1cc2nccc(C(F)(F)F)c2s1)C(=O)O
InChIInChI=1S/C12H10F3N3O3S/c13-12(14,15)5-1-2-17-7-3-8(22-9(5)7)10(19)18-4-6(16)11(20)21/h1-3,6H,4,16H2,(H,18,19)(H,20,21)/t6-/m1/s1
InChIKeyBVMISDVPLOGTCO-ZCFIWIBFSA-N
MW333.29 g/mol
LogP1.46
Rot. Bonds4

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

(2R)-2-amino-3-[[7-(trifluoromethyl)thieno[3,2-b]pyridine-2-carbonyl]amino]propanoic acid (PubChem CID 155458096) has the molecular formula C12H10F3N3O3S and a molecular weight of 333.29 g/mol. Its IUPAC name is (2R)-2-amino-3-[[7-(trifluoromethyl)thieno[3,2-b]pyridine-2-carbonyl]amino]propanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-3-[[7-(trifluoromethyl)thieno[3,2-b]pyridine-2-carbonyl]amino]propanoic acid
PubChem CID155458096
Molecular FormulaC12H10F3N3O3S
Molecular Weight333.29 g/mol
Exact Mass333.04
IUPAC Name(2R)-2-amino-3-[[7-(trifluoromethyl)thieno[3,2-b]pyridine-2-carbonyl]amino]propanoic acid
SMILESN[C@H](CNC(=O)c1cc2nccc(C(F)(F)F)c2s1)C(=O)O
InChIInChI=1S/C12H10F3N3O3S/c13-12(14,15)5-1-2-17-7-3-8(22-9(5)7)10(19)18-4-6(16)11(20)21/h1-3,6H,4,16H2,(H,18,19)(H,20,21)/t6-/m1/s1
InChIKeyBVMISDVPLOGTCO-ZCFIWIBFSA-N
XLogP1.46
TPSA105.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.29
LogP ≤ 51.46
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-(trifluoromethyl)thieno[3,2-b]pyridine-2-carbonyl]amino]propanoic acid?
The IUPAC name of (2R)-2-amino-3-[[7-(trifluoromethyl)thieno[3,2-b]pyridine-2-carbonyl]amino]propanoic acid (CID 155458096) is (2R)-2-amino-3-[[7-(trifluoromethyl)thieno[3,2-b]pyridine-2-carbonyl]amino]propanoic acid.
What is the SMILES notation for (2R)-2-amino-3-[[7-(trifluoromethyl)thieno[3,2-b]pyridine-2-carbonyl]amino]propanoic acid?
The canonical SMILES for (2R)-2-amino-3-[[7-(trifluoromethyl)thieno[3,2-b]pyridine-2-carbonyl]amino]propanoic acid is N[C@H](CNC(=O)c1cc2nccc(C(F)(F)F)c2s1)C(=O)O.
What is the InChIKey of (2R)-2-amino-3-[[7-(trifluoromethyl)thieno[3,2-b]pyridine-2-carbonyl]amino]propanoic acid?
The InChIKey is BVMISDVPLOGTCO-ZCFIWIBFSA-N. The full InChI is InChI=1S/C12H10F3N3O3S/c13-12(14,15)5-1-2-17-7-3-8(22-9(5)7)10(19)18-4-6(16)11(20)21/h1-3,6H,4,16H2,(H,18,19)(H,20,21)/t6-/m1/s1.
What are the key properties of (2R)-2-amino-3-[[7-(trifluoromethyl)thieno[3,2-b]pyridine-2-carbonyl]amino]propanoic acid?
(2R)-2-amino-3-[[7-(trifluoromethyl)thieno[3,2-b]pyridine-2-carbonyl]amino]propanoic acid has a molecular weight of 333.29 g/mol, XLogP of 1.46, 4 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-(trifluoromethyl)thieno[3,2-b]pyridine-2-carbonyl]amino]propanoic acid is sourced from PubChem (CID 155458096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).