5-[amino(carboxy)methyl]-4-methylthiophene-2-carboxylic acid

C8H9NO4S — CID 10398360

IUPAC5-[amino(carboxy)methyl]-4-methylthiophene-2-carboxylic acid
SMILESCc1cc(C(=O)O)sc1C(N)C(=O)O
InChIInChI=1S/C8H9NO4S/c1-3-2-4(7(10)11)14-6(3)5(9)8(12)13/h2,5H,9H2,1H3,(H,10,11)(H,12,13)
InChIKeyKOMWRBFEDDEWEP-UHFFFAOYSA-N
MW215.23 g/mol
LogP0.84
Rot. Bonds3

About 5-[amino(carboxy)methyl]-4-methylthiophene-2-carboxylic acid

5-[amino(carboxy)methyl]-4-methylthiophene-2-carboxylic acid (PubChem CID 10398360) has the molecular formula C8H9NO4S and a molecular weight of 215.23 g/mol. Its IUPAC name is 5-[amino(carboxy)methyl]-4-methylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[amino(carboxy)methyl]-4-methylthiophene-2-carboxylic acid
PubChem CID10398360
Molecular FormulaC8H9NO4S
Molecular Weight215.23 g/mol
Exact Mass215.03
IUPAC Name5-[amino(carboxy)methyl]-4-methylthiophene-2-carboxylic acid
SMILESCc1cc(C(=O)O)sc1C(N)C(=O)O
InChIInChI=1S/C8H9NO4S/c1-3-2-4(7(10)11)14-6(3)5(9)8(12)13/h2,5H,9H2,1H3,(H,10,11)(H,12,13)
InChIKeyKOMWRBFEDDEWEP-UHFFFAOYSA-N
XLogP0.84
TPSA100.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.23
LogP ≤ 50.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-(Aminomethyl)thiophene-2-carboxylic acid hydrochloride
CID 70086882
2-(3-Aminopropyl)-5-methylthiophene-3-carboxylic acid hydrochloride
CID 2832735
2-Amino-2-(4,5-dimethylthiophen-2-yl)acetic acid
CID 46885536
5-[(1-Phenylethylamino)methyl]thiophene-2-carboxylic acid
CID 6623397
5-{[(1-Methyl-3-phenylpropyl)amino]methyl}thiophene-2-carboxylic acid
CID 6623435
5-[(Benzylamino)methyl]thiophene-2-carboxylic acid
CID 6624338
2-(3-Aminopropyl)-5-methylthiophene-3-carboxylic acid
CID 659266
5-(Aminomethyl)thiophene-2-carboxylic acid
CID 16495107
5-[Amino(carboxy)methyl]-2-methylthiophene-3-carboxylic acid
CID 91382747
4-[2-[5-(Aminomethyl)-2-methylthiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-methylthiophene-2-carboxylic acid
CID 102099732
5-Methyl-4-[(2,2,2-trifluoroethoxyamino)methyl]thiophene-2-carboxylic acid
CID 103261668
5-Methyl-4-[(4,4,4-trifluorobutan-2-ylamino)methyl]thiophene-2-carboxylic acid
CID 105942327

Frequently Asked Questions

What is the IUPAC name of 5-[amino(carboxy)methyl]-4-methylthiophene-2-carboxylic acid?
The IUPAC name of 5-[amino(carboxy)methyl]-4-methylthiophene-2-carboxylic acid (CID 10398360) is 5-[amino(carboxy)methyl]-4-methylthiophene-2-carboxylic acid.
What is the SMILES notation for 5-[amino(carboxy)methyl]-4-methylthiophene-2-carboxylic acid?
The canonical SMILES for 5-[amino(carboxy)methyl]-4-methylthiophene-2-carboxylic acid is Cc1cc(C(=O)O)sc1C(N)C(=O)O.
What is the InChIKey of 5-[amino(carboxy)methyl]-4-methylthiophene-2-carboxylic acid?
The InChIKey is KOMWRBFEDDEWEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO4S/c1-3-2-4(7(10)11)14-6(3)5(9)8(12)13/h2,5H,9H2,1H3,(H,10,11)(H,12,13).
What are the key properties of 5-[amino(carboxy)methyl]-4-methylthiophene-2-carboxylic acid?
5-[amino(carboxy)methyl]-4-methylthiophene-2-carboxylic acid has a molecular weight of 215.23 g/mol, XLogP of 0.84, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[amino(carboxy)methyl]-4-methylthiophene-2-carboxylic acid is sourced from PubChem (CID 10398360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).