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

C11H15NO4S — CID 22350606

IUPAC5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]thiophene-2-carboxylic acid
SMILESCC(C)(C)OC(=O)NCc1ccc(C(=O)O)s1
InChIInChI=1S/C11H15NO4S/c1-11(2,3)16-10(15)12-6-7-4-5-8(17-7)9(13)14/h4-5H,6H2,1-3H3,(H,12,15)(H,13,14)
InChIKeyUMCZWRPDQUJJRY-UHFFFAOYSA-N
MW257.31 g/mol
LogP2.47
Rot. Bonds3

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

5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]thiophene-2-carboxylic acid (PubChem CID 22350606) has the molecular formula C11H15NO4S and a molecular weight of 257.31 g/mol. Its IUPAC name is 5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]thiophene-2-carboxylic acid
PubChem CID22350606
Molecular FormulaC11H15NO4S
Molecular Weight257.31 g/mol
Exact Mass257.07
IUPAC Name5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]thiophene-2-carboxylic acid
SMILESCC(C)(C)OC(=O)NCc1ccc(C(=O)O)s1
InChIInChI=1S/C11H15NO4S/c1-11(2,3)16-10(15)12-6-7-4-5-8(17-7)9(13)14/h4-5H,6H2,1-3H3,(H,12,15)(H,13,14)
InChIKeyUMCZWRPDQUJJRY-UHFFFAOYSA-N
XLogP2.47
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]thiophene-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(Aminomethyl)thiophene-2-carboxylic acid hydrochloride
CID 70086882
2-(((Tert-butoxy)carbonyl)amino)-2-(thiophen-2-yl)acetic acid
CID 15591778
4-({[(Tert-butoxy)carbonyl]amino}methyl)-5-chlorothiophene-2-carboxylic acid
CID 137963785
6-(tert-Butoxycarbonyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-2-carboxylic acid
CID 37819040
5-(1-((Tert-butoxy)carbonyl)pyrrolidin-2-yl)thiophene-2-carboxylic acid
CID 66759426
3-({[(Tert-butoxy)carbonyl]amino}methyl)thiophene-2-carboxylic acid
CID 69374230
4-((((Tert-butoxy)carbonyl)amino)methyl)thiophene-2-carboxylic acid
CID 105512297
5-((((Tert-butoxy)carbonyl)amino)methyl)thiophene-3-carboxylic acid
CID 154878803
2-(((tert-Butoxycarbonyl)amino)methyl)thiophene-3-carboxylic acid
CID 156408880
5-(Tert-butylcarbamoyl)thiophene-2-carboxylic acid
CID 2314276
5-[(Dimethylamino)methyl]-2-thiophenecarboxylic acid
CID 4261499
Boc-(R)-2-Thienylglycine
CID 15591779

Frequently Asked Questions

What is the IUPAC name of 5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]thiophene-2-carboxylic acid (CID 22350606) is 5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]thiophene-2-carboxylic acid is CC(C)(C)OC(=O)NCc1ccc(C(=O)O)s1.
What is the InChIKey of 5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]thiophene-2-carboxylic acid?
The InChIKey is UMCZWRPDQUJJRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4S/c1-11(2,3)16-10(15)12-6-7-4-5-8(17-7)9(13)14/h4-5H,6H2,1-3H3,(H,12,15)(H,13,14).
What are the key properties of 5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]thiophene-2-carboxylic acid?
5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]thiophene-2-carboxylic acid has a molecular weight of 257.31 g/mol, XLogP of 2.47, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 22350606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).