3-[(2-acetamido-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonyl)amino]propanoic acid

C14H19N3O4S — CID 39176049

IUPAC3-[(2-acetamido-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonyl)amino]propanoic acid
SMILESCC(=O)Nc1sc2c(c1C(=O)NCCC(=O)O)CCN(C)C2
InChIInChI=1S/C14H19N3O4S/c1-8(18)16-14-12(13(21)15-5-3-11(19)20)9-4-6-17(2)7-10(9)22-14/h3-7H2,1-2H3,(H,15,21)(H,16,18)(H,19,20)
InChIKeyRUJRSPJNYVCAAI-UHFFFAOYSA-N
MW325.39 g/mol
LogP0.90
Rot. Bonds5

About 3-[(2-acetamido-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonyl)amino]propanoic acid

3-[(2-acetamido-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonyl)amino]propanoic acid (PubChem CID 39176049) has the molecular formula C14H19N3O4S and a molecular weight of 325.39 g/mol. Its IUPAC name is 3-[(2-acetamido-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[(2-acetamido-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonyl)amino]propanoic acid
PubChem CID39176049
Molecular FormulaC14H19N3O4S
Molecular Weight325.39 g/mol
Exact Mass325.11
IUPAC Name3-[(2-acetamido-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonyl)amino]propanoic acid
SMILESCC(=O)Nc1sc2c(c1C(=O)NCCC(=O)O)CCN(C)C2
InChIInChI=1S/C14H19N3O4S/c1-8(18)16-14-12(13(21)15-5-3-11(19)20)9-4-6-17(2)7-10(9)22-14/h3-7H2,1-2H3,(H,15,21)(H,16,18)(H,19,20)
InChIKeyRUJRSPJNYVCAAI-UHFFFAOYSA-N
XLogP0.90
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-[(2-acetamido-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonyl)amino]propanoic acid with MolForge

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Related Compounds

2-acetamido-N-(2-aminoethyl)-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 39162883
2-amino-6-methyl-N-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 43174797
3-[[2-(2-methylpropanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl]amino]propanoic acid
CID 82033564
2-(2,2-dimethylpropanoylamino)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid
CID 28860789
6-methyl-2-[[4-(trifluoromethyl)benzoyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid
CID 28860971
6-methyl-2-(propanoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 4231286
2-[(3,5-dichlorobenzoyl)amino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 4091163
2-[(4-fluorobenzoyl)amino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 4120098
2-(1,3-benzodioxole-5-carbonylamino)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid
CID 28860897
ethyl 2-(2-chloroethylcarbamoylamino)-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
CID 46202160
2-acetamido-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 4054678
2-[[2-(2,5-dimethylphenoxy)acetyl]amino]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid
CID 28860916

Frequently Asked Questions

What is the IUPAC name of 3-[(2-acetamido-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonyl)amino]propanoic acid?
The IUPAC name of 3-[(2-acetamido-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonyl)amino]propanoic acid (CID 39176049) is 3-[(2-acetamido-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonyl)amino]propanoic acid.
What is the SMILES notation for 3-[(2-acetamido-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonyl)amino]propanoic acid?
The canonical SMILES for 3-[(2-acetamido-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonyl)amino]propanoic acid is CC(=O)Nc1sc2c(c1C(=O)NCCC(=O)O)CCN(C)C2.
What is the InChIKey of 3-[(2-acetamido-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonyl)amino]propanoic acid?
The InChIKey is RUJRSPJNYVCAAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4S/c1-8(18)16-14-12(13(21)15-5-3-11(19)20)9-4-6-17(2)7-10(9)22-14/h3-7H2,1-2H3,(H,15,21)(H,16,18)(H,19,20).
What are the key properties of 3-[(2-acetamido-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonyl)amino]propanoic acid?
3-[(2-acetamido-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonyl)amino]propanoic acid has a molecular weight of 325.39 g/mol, XLogP of 0.90, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-acetamido-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonyl)amino]propanoic acid is sourced from PubChem (CID 39176049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).