2-(methoxycarbonylamino)-5-methylthiophene-3-carboxylic acid

C8H9NO4S — CID 63617172

IUPAC2-(methoxycarbonylamino)-5-methylthiophene-3-carboxylic acid
SMILESCOC(=O)Nc1sc(C)cc1C(=O)O
InChIInChI=1S/C8H9NO4S/c1-4-3-5(7(10)11)6(14-4)9-8(12)13-2/h3H,1-2H3,(H,9,12)(H,10,11)
InChIKeyYNXGPSBNCZGANX-UHFFFAOYSA-N
MW215.23 g/mol
LogP1.93
Rot. Bonds2

About 2-(methoxycarbonylamino)-5-methylthiophene-3-carboxylic acid

2-(methoxycarbonylamino)-5-methylthiophene-3-carboxylic acid (PubChem CID 63617172) has the molecular formula C8H9NO4S and a molecular weight of 215.23 g/mol. Its IUPAC name is 2-(methoxycarbonylamino)-5-methylthiophene-3-carboxylic acid.

Molecular Properties

Compound Name2-(methoxycarbonylamino)-5-methylthiophene-3-carboxylic acid
PubChem CID63617172
Molecular FormulaC8H9NO4S
Molecular Weight215.23 g/mol
Exact Mass215.03
IUPAC Name2-(methoxycarbonylamino)-5-methylthiophene-3-carboxylic acid
SMILESCOC(=O)Nc1sc(C)cc1C(=O)O
InChIInChI=1S/C8H9NO4S/c1-4-3-5(7(10)11)6(14-4)9-8(12)13-2/h3H,1-2H3,(H,9,12)(H,10,11)
InChIKeyYNXGPSBNCZGANX-UHFFFAOYSA-N
XLogP1.93
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.23
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-2-(propan-2-yloxycarbonylamino)thiophene-3-carboxylic acid
CID 63616841
5-methyl-2-(phenoxycarbonylamino)thiophene-3-carboxylic acid
CID 63617001
2-(carbamoylamino)-5-methylthiophene-3-carboxylic acid
CID 63617341
2-[[6-[(3-carboxy-5-methylthiophen-2-yl)amino]-6-oxohexanoyl]amino]-5-methylthiophene-3-carboxylic acid
CID 24859424
2-[(4-methoxybenzoyl)amino]-5-methylthiophene-3-carboxylic acid
CID 760013
2-[(2,6-dihydroxybenzoyl)amino]-5-methylthiophene-3-carboxylic acid
CID 107688003
2-[(2-hydroxybenzoyl)amino]-5-methylthiophene-3-carboxylic acid
CID 55247796
5-methyl-2-[(5-methylfuran-3-carbonyl)amino]thiophene-3-carboxylic acid
CID 114818997
2-[(3,4-dimethylbenzoyl)amino]-5-methylthiophene-3-carboxylic acid
CID 28858667
2-(hexa-2,4-dienoylamino)-5-methylthiophene-3-carboxylic acid
CID 77001926
2-(hexanoylamino)-5-methylthiophene-3-carboxylic acid
CID 63615671
2-[(3-bromo-4-methoxybenzoyl)amino]-5-methylthiophene-3-carboxylic acid
CID 63616000

Frequently Asked Questions

What is the IUPAC name of 2-(methoxycarbonylamino)-5-methylthiophene-3-carboxylic acid?
The IUPAC name of 2-(methoxycarbonylamino)-5-methylthiophene-3-carboxylic acid (CID 63617172) is 2-(methoxycarbonylamino)-5-methylthiophene-3-carboxylic acid.
What is the SMILES notation for 2-(methoxycarbonylamino)-5-methylthiophene-3-carboxylic acid?
The canonical SMILES for 2-(methoxycarbonylamino)-5-methylthiophene-3-carboxylic acid is COC(=O)Nc1sc(C)cc1C(=O)O.
What is the InChIKey of 2-(methoxycarbonylamino)-5-methylthiophene-3-carboxylic acid?
The InChIKey is YNXGPSBNCZGANX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO4S/c1-4-3-5(7(10)11)6(14-4)9-8(12)13-2/h3H,1-2H3,(H,9,12)(H,10,11).
What are the key properties of 2-(methoxycarbonylamino)-5-methylthiophene-3-carboxylic acid?
2-(methoxycarbonylamino)-5-methylthiophene-3-carboxylic acid has a molecular weight of 215.23 g/mol, XLogP of 1.93, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxycarbonylamino)-5-methylthiophene-3-carboxylic acid is sourced from PubChem (CID 63617172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).