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

C9H10N2O4S — CID 123843018

IUPAC3-amino-6,7-dihydro-4H-thieno[3,2-c]pyridine-2,5-dicarboxylic acid
SMILESNc1c(C(=O)O)sc2c1CN(C(=O)O)CC2
InChIInChI=1S/C9H10N2O4S/c10-6-4-3-11(9(14)15)2-1-5(4)16-7(6)8(12)13/h1-3,10H2,(H,12,13)(H,14,15)
InChIKeyVXUKSAVOTPIAPE-UHFFFAOYSA-N
MW242.26 g/mol
LogP1.06
Rot. Bonds1

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

3-amino-6,7-dihydro-4H-thieno[3,2-c]pyridine-2,5-dicarboxylic acid (PubChem CID 123843018) has the molecular formula C9H10N2O4S and a molecular weight of 242.26 g/mol. Its IUPAC name is 3-amino-6,7-dihydro-4H-thieno[3,2-c]pyridine-2,5-dicarboxylic acid.

Molecular Properties

Compound Name3-amino-6,7-dihydro-4H-thieno[3,2-c]pyridine-2,5-dicarboxylic acid
PubChem CID123843018
Molecular FormulaC9H10N2O4S
Molecular Weight242.26 g/mol
Exact Mass242.04
IUPAC Name3-amino-6,7-dihydro-4H-thieno[3,2-c]pyridine-2,5-dicarboxylic acid
SMILESNc1c(C(=O)O)sc2c1CN(C(=O)O)CC2
InChIInChI=1S/C9H10N2O4S/c10-6-4-3-11(9(14)15)2-1-5(4)16-7(6)8(12)13/h1-3,10H2,(H,12,13)(H,14,15)
InChIKeyVXUKSAVOTPIAPE-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

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Related Compounds

3-amino-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid
CID 82398824
butyl 5-acetyl-3-amino-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxylate
CID 11437923
methyl 3-amino-5-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxylate
CID 155090715
2-amino-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylic acid
CID 75409780
3-amino-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxylic acid
CID 175025961
3-(pyrrolidine-1-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 142146921
6-O-tert-butyl 2-O-methyl 3-amino-5,7-dihydro-4H-thieno[2,3-c]pyridine-2,6-dicarboxylate
CID 137429955
3-amino-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carboxylic acid
CID 175056798
lithium 3-amino-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate
CID 155822112
formamide;3-methylidenepyrrolidine-1-carboxylic acid
CID 174681918
2-(hydroxymethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylic acid
CID 68643969
diethyl 2-amino-4,5,7,8-tetrahydrothieno[2,3-d]azepine-3,6-dicarboxylate
CID 13072081

Frequently Asked Questions

What is the IUPAC name of 3-amino-6,7-dihydro-4H-thieno[3,2-c]pyridine-2,5-dicarboxylic acid?
The IUPAC name of 3-amino-6,7-dihydro-4H-thieno[3,2-c]pyridine-2,5-dicarboxylic acid (CID 123843018) is 3-amino-6,7-dihydro-4H-thieno[3,2-c]pyridine-2,5-dicarboxylic acid.
What is the SMILES notation for 3-amino-6,7-dihydro-4H-thieno[3,2-c]pyridine-2,5-dicarboxylic acid?
The canonical SMILES for 3-amino-6,7-dihydro-4H-thieno[3,2-c]pyridine-2,5-dicarboxylic acid is Nc1c(C(=O)O)sc2c1CN(C(=O)O)CC2.
What is the InChIKey of 3-amino-6,7-dihydro-4H-thieno[3,2-c]pyridine-2,5-dicarboxylic acid?
The InChIKey is VXUKSAVOTPIAPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O4S/c10-6-4-3-11(9(14)15)2-1-5(4)16-7(6)8(12)13/h1-3,10H2,(H,12,13)(H,14,15).
What are the key properties of 3-amino-6,7-dihydro-4H-thieno[3,2-c]pyridine-2,5-dicarboxylic acid?
3-amino-6,7-dihydro-4H-thieno[3,2-c]pyridine-2,5-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 3-amino-6,7-dihydro-4H-thieno[3,2-c]pyridine-2,5-dicarboxylic acid is sourced from PubChem (CID 123843018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).