5-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]thiophene-2-carboxylic acid

C11H15NO4S — CID 15079360

IUPAC5-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]thiophene-2-carboxylic acid
SMILESCN(C(=O)OC(C)(C)C)c1ccc(C(=O)O)s1
InChIInChI=1S/C11H15NO4S/c1-11(2,3)16-10(15)12(4)8-6-5-7(17-8)9(13)14/h5-6H,1-4H3,(H,13,14)
InChIKeyVJWRWJGBMRLBDV-UHFFFAOYSA-N
MW257.31 g/mol
LogP2.82
Rot. Bonds2

About 5-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]thiophene-2-carboxylic acid

5-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]thiophene-2-carboxylic acid (PubChem CID 15079360) has the molecular formula C11H15NO4S and a molecular weight of 257.31 g/mol. Its IUPAC name is 5-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]thiophene-2-carboxylic acid
PubChem CID15079360
Molecular FormulaC11H15NO4S
Molecular Weight257.31 g/mol
Exact Mass257.07
IUPAC Name5-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]thiophene-2-carboxylic acid
SMILESCN(C(=O)OC(C)(C)C)c1ccc(C(=O)O)s1
InChIInChI=1S/C11H15NO4S/c1-11(2,3)16-10(15)12(4)8-6-5-7(17-8)9(13)14/h5-6H,1-4H3,(H,13,14)
InChIKeyVJWRWJGBMRLBDV-UHFFFAOYSA-N
XLogP2.82
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(((Tert-butoxy)carbonyl)amino)thiophene-2-carboxylic acid
CID 22105569
5-(Acetylamino)thiophene-2-carboxylic acid
CID 5200375
5-Cyclopropaneamidothiophene-2-carboxylic acid
CID 16227467
3-Fluoro-5-[3-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]thiophene-2-carboxylic acid
CID 168725257
5-[(tert-Butyloxycarbonyl)amino]thiophene-2-carboxylic acid ethyl ester
CID 21585764
5-(2,2,2-Trifluoroethoxycarbonylamino)thiophene-2-carboxylic acid
CID 61171375
5-[Methyl(2,2,2-trifluoroethyl)amino]thiophene-2-carboxylic acid
CID 64364862
5-[Ethyl(2,2,2-trifluoroethyl)amino]thiophene-2-carboxylic acid
CID 64365069
5-[Cyclopropyl(2,2,2-trifluoroethyl)amino]thiophene-2-carboxylic acid
CID 64365272
5-[Propyl(2,2,2-trifluoroethyl)amino]thiophene-2-carboxylic acid
CID 64365469
5-[Propan-2-yl(2,2,2-trifluoroethyl)amino]thiophene-2-carboxylic acid
CID 64365470
5-[3-(Trifluoromethyl)piperidin-1-yl]thiophene-2-carboxylic acid
CID 65537643

Frequently Asked Questions

What is the IUPAC name of 5-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]thiophene-2-carboxylic acid?
The IUPAC name of 5-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]thiophene-2-carboxylic acid (CID 15079360) is 5-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]thiophene-2-carboxylic acid is CN(C(=O)OC(C)(C)C)c1ccc(C(=O)O)s1.
What is the InChIKey of 5-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]thiophene-2-carboxylic acid?
The InChIKey is VJWRWJGBMRLBDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4S/c1-11(2,3)16-10(15)12(4)8-6-5-7(17-8)9(13)14/h5-6H,1-4H3,(H,13,14).
What are the key properties of 5-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]thiophene-2-carboxylic acid?
5-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]thiophene-2-carboxylic acid has a molecular weight of 257.31 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]thiophene-2-carboxylic acid is sourced from PubChem (CID 15079360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).