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

C12H13N3O4S — CID 155457915

IUPAC(2R)-2-amino-3-[[7-(hydroxymethyl)thieno[3,2-b]pyridine-2-carbonyl]amino]propanoic acid
SMILESN[C@H](CNC(=O)c1cc2nccc(CO)c2s1)C(=O)O
InChIInChI=1S/C12H13N3O4S/c13-7(12(18)19)4-15-11(17)9-3-8-10(20-9)6(5-16)1-2-14-8/h1-3,7,16H,4-5,13H2,(H,15,17)(H,18,19)/t7-/m1/s1
InChIKeyZARMFNGYNWHOGF-SSDOTTSWSA-N
MW295.32 g/mol
LogP-0.07
Rot. Bonds5

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

(2R)-2-amino-3-[[7-(hydroxymethyl)thieno[3,2-b]pyridine-2-carbonyl]amino]propanoic acid (PubChem CID 155457915) has the molecular formula C12H13N3O4S and a molecular weight of 295.32 g/mol. Its IUPAC name is (2R)-2-amino-3-[[7-(hydroxymethyl)thieno[3,2-b]pyridine-2-carbonyl]amino]propanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-3-[[7-(hydroxymethyl)thieno[3,2-b]pyridine-2-carbonyl]amino]propanoic acid
PubChem CID155457915
Molecular FormulaC12H13N3O4S
Molecular Weight295.32 g/mol
Exact Mass295.06
IUPAC Name(2R)-2-amino-3-[[7-(hydroxymethyl)thieno[3,2-b]pyridine-2-carbonyl]amino]propanoic acid
SMILESN[C@H](CNC(=O)c1cc2nccc(CO)c2s1)C(=O)O
InChIInChI=1S/C12H13N3O4S/c13-7(12(18)19)4-15-11(17)9-3-8-10(20-9)6(5-16)1-2-14-8/h1-3,7,16H,4-5,13H2,(H,15,17)(H,18,19)/t7-/m1/s1
InChIKeyZARMFNGYNWHOGF-SSDOTTSWSA-N
XLogP-0.07
TPSA125.54 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.32
LogP ≤ 5-0.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-[[7-(hydroxymethyl)thieno[3,2-b]pyridine-2-carbonyl]amino]propanoic acid?
The IUPAC name of (2R)-2-amino-3-[[7-(hydroxymethyl)thieno[3,2-b]pyridine-2-carbonyl]amino]propanoic acid (CID 155457915) is (2R)-2-amino-3-[[7-(hydroxymethyl)thieno[3,2-b]pyridine-2-carbonyl]amino]propanoic acid.
What is the SMILES notation for (2R)-2-amino-3-[[7-(hydroxymethyl)thieno[3,2-b]pyridine-2-carbonyl]amino]propanoic acid?
The canonical SMILES for (2R)-2-amino-3-[[7-(hydroxymethyl)thieno[3,2-b]pyridine-2-carbonyl]amino]propanoic acid is N[C@H](CNC(=O)c1cc2nccc(CO)c2s1)C(=O)O.
What is the InChIKey of (2R)-2-amino-3-[[7-(hydroxymethyl)thieno[3,2-b]pyridine-2-carbonyl]amino]propanoic acid?
The InChIKey is ZARMFNGYNWHOGF-SSDOTTSWSA-N. The full InChI is InChI=1S/C12H13N3O4S/c13-7(12(18)19)4-15-11(17)9-3-8-10(20-9)6(5-16)1-2-14-8/h1-3,7,16H,4-5,13H2,(H,15,17)(H,18,19)/t7-/m1/s1.
What are the key properties of (2R)-2-amino-3-[[7-(hydroxymethyl)thieno[3,2-b]pyridine-2-carbonyl]amino]propanoic acid?
(2R)-2-amino-3-[[7-(hydroxymethyl)thieno[3,2-b]pyridine-2-carbonyl]amino]propanoic acid has a molecular weight of 295.32 g/mol, XLogP of -0.07, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-[[7-(hydroxymethyl)thieno[3,2-b]pyridine-2-carbonyl]amino]propanoic acid is sourced from PubChem (CID 155457915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).