2-amino-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylic acid

C9H10N2O4S — CID 75409780

IUPAC2-amino-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylic acid
SMILESNc1sc2c(c1C(=O)O)CCN(C(=O)O)C2
InChIInChI=1S/C9H10N2O4S/c10-7-6(8(12)13)4-1-2-11(9(14)15)3-5(4)16-7/h1-3,10H2,(H,12,13)(H,14,15)
InChIKeyCURXBGRRPRLGHP-UHFFFAOYSA-N
MW242.26 g/mol
LogP1.06
Rot. Bonds1

About 2-amino-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylic acid

2-amino-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylic acid (PubChem CID 75409780) has the molecular formula C9H10N2O4S and a molecular weight of 242.26 g/mol. Its IUPAC name is 2-amino-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylic acid.

Molecular Properties

Compound Name2-amino-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylic acid
PubChem CID75409780
Molecular FormulaC9H10N2O4S
Molecular Weight242.26 g/mol
Exact Mass242.04
IUPAC Name2-amino-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylic acid
SMILESNc1sc2c(c1C(=O)O)CCN(C(=O)O)C2
InChIInChI=1S/C9H10N2O4S/c10-7-6(8(12)13)4-1-2-11(9(14)15)3-5(4)16-7/h1-3,10H2,(H,12,13)(H,14,15)
InChIKeyCURXBGRRPRLGHP-UHFFFAOYSA-N
XLogP1.06
TPSA103.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.26
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_amino_Aa(45)', 'substructure': 'N/A'}

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Related Compounds

2-amino-6-methylsulfonyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid
CID 95434579
2-amino-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid
CID 5151249
methyl 2-amino-3-carbamoyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
CID 71779013
2-amino-6-(2-methoxyethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid
CID 175569883
1-[2-amino-3-(4-chlorobenzoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]ethanone
CID 178016521
2-amino-6-(thiophene-2-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 98659185
2-amino-3-(1,3-benzothiazol-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylic acid
CID 89439622
3-amino-6,7-dihydro-4H-thieno[3,2-c]pyridine-2,5-dicarboxylic acid
CID 123843018
6-acetyl-2-amino-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile
CID 42281672
diethyl 2-amino-4,5,7,8-tetrahydrothieno[2,3-d]azepine-3,6-dicarboxylate
CID 13072081
6-acetyl-2-[(2,2,2-trifluoroacetyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid
CID 28861207
7-amino-1,3,3a,4,5,8b-hexahydrothieno[3,2-e]isoindole-2,8-dicarboxylic acid
CID 90911127

Frequently Asked Questions

What is the IUPAC name of 2-amino-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylic acid?
The IUPAC name of 2-amino-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylic acid (CID 75409780) is 2-amino-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylic acid.
What is the SMILES notation for 2-amino-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylic acid?
The canonical SMILES for 2-amino-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylic acid is Nc1sc2c(c1C(=O)O)CCN(C(=O)O)C2.
What is the InChIKey of 2-amino-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylic acid?
The InChIKey is CURXBGRRPRLGHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O4S/c10-7-6(8(12)13)4-1-2-11(9(14)15)3-5(4)16-7/h1-3,10H2,(H,12,13)(H,14,15).
What are the key properties of 2-amino-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylic acid?
2-amino-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylic acid has a molecular weight of 242.26 g/mol, XLogP of 1.06, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylic acid is sourced from PubChem (CID 75409780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).