5-amino-3,4-dimethoxythiophene-2-carboxylic acid

C7H9NO4S — CID 112545413

IUPAC5-amino-3,4-dimethoxythiophene-2-carboxylic acid
SMILESCOc1c(N)sc(C(=O)O)c1OC
InChIInChI=1S/C7H9NO4S/c1-11-3-4(12-2)6(8)13-5(3)7(9)10/h8H2,1-2H3,(H,9,10)
InChIKeyYZTPPGQYQALIEI-UHFFFAOYSA-N
MW203.22 g/mol
LogP1.05
Rot. Bonds3

About 5-amino-3,4-dimethoxythiophene-2-carboxylic acid

5-amino-3,4-dimethoxythiophene-2-carboxylic acid (PubChem CID 112545413) has the molecular formula C7H9NO4S and a molecular weight of 203.22 g/mol. Its IUPAC name is 5-amino-3,4-dimethoxythiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-amino-3,4-dimethoxythiophene-2-carboxylic acid
PubChem CID112545413
Molecular FormulaC7H9NO4S
Molecular Weight203.22 g/mol
Exact Mass203.03
IUPAC Name5-amino-3,4-dimethoxythiophene-2-carboxylic acid
SMILESCOc1c(N)sc(C(=O)O)c1OC
InChIInChI=1S/C7H9NO4S/c1-11-3-4(12-2)6(8)13-5(3)7(9)10/h8H2,1-2H3,(H,9,10)
InChIKeyYZTPPGQYQALIEI-UHFFFAOYSA-N
XLogP1.05
TPSA81.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.22
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3,4-dimethoxy-5-sulfamoylthiophene-2-carboxylic acid
CID 138008020
3,4,5-trimethoxythiophen-2-amine
CID 98774107
2-amino-5-carbamoyl-4-methylthiophene-3-carboxylic acid
CID 82397516
2,3,4,5,6-pentamethoxybenzoic acid
CID 623385
3,7-dimethoxy-1-benzothiophene-2-carboxylic acid
CID 83919270
3-amino-5-(3,5-dimethoxyphenyl)thiophene-2-carboxylic acid
CID 83035354
3-methoxythieno[2,3-b]pyridine-2-carboxylic acid
CID 11344821
3-amino-6-methoxy-1-benzothiophene-2-carboxylic acid
CID 57099213
4-amino-2,3,6-trifluoro-5-methoxybenzoic acid
CID 174602610
3-amino-2,5,6-trifluoro-4-methoxybenzoic acid
CID 174567363
6-amino-2,3,4-trimethoxybenzoic acid
CID 13036392
2-amino-4-(methoxymethyl)-5-phenylmethoxycarbonylthiophene-3-carboxylic acid
CID 154082367

Frequently Asked Questions

What is the IUPAC name of 5-amino-3,4-dimethoxythiophene-2-carboxylic acid?
The IUPAC name of 5-amino-3,4-dimethoxythiophene-2-carboxylic acid (CID 112545413) is 5-amino-3,4-dimethoxythiophene-2-carboxylic acid.
What is the SMILES notation for 5-amino-3,4-dimethoxythiophene-2-carboxylic acid?
The canonical SMILES for 5-amino-3,4-dimethoxythiophene-2-carboxylic acid is COc1c(N)sc(C(=O)O)c1OC.
What is the InChIKey of 5-amino-3,4-dimethoxythiophene-2-carboxylic acid?
The InChIKey is YZTPPGQYQALIEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO4S/c1-11-3-4(12-2)6(8)13-5(3)7(9)10/h8H2,1-2H3,(H,9,10).
What are the key properties of 5-amino-3,4-dimethoxythiophene-2-carboxylic acid?
5-amino-3,4-dimethoxythiophene-2-carboxylic acid has a molecular weight of 203.22 g/mol, XLogP of 1.05, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3,4-dimethoxythiophene-2-carboxylic acid is sourced from PubChem (CID 112545413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).