3-[[(2-methoxy-2-methylpropyl)amino]methyl]thiophene-2-carboxylic acid

C11H17NO3S — CID 103266052

IUPAC3-[[(2-methoxy-2-methylpropyl)amino]methyl]thiophene-2-carboxylic acid
SMILESCOC(C)(C)CNCc1ccsc1C(=O)O
InChIInChI=1S/C11H17NO3S/c1-11(2,15-3)7-12-6-8-4-5-16-9(8)10(13)14/h4-5,12H,6-7H2,1-3H3,(H,13,14)
InChIKeyQITAWWFOXPPCKI-UHFFFAOYSA-N
MW243.33 g/mol
LogP1.96
Rot. Bonds6

About 3-[[(2-methoxy-2-methylpropyl)amino]methyl]thiophene-2-carboxylic acid

3-[[(2-methoxy-2-methylpropyl)amino]methyl]thiophene-2-carboxylic acid (PubChem CID 103266052) has the molecular formula C11H17NO3S and a molecular weight of 243.33 g/mol. Its IUPAC name is 3-[[(2-methoxy-2-methylpropyl)amino]methyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-[[(2-methoxy-2-methylpropyl)amino]methyl]thiophene-2-carboxylic acid
PubChem CID103266052
Molecular FormulaC11H17NO3S
Molecular Weight243.33 g/mol
Exact Mass243.09
IUPAC Name3-[[(2-methoxy-2-methylpropyl)amino]methyl]thiophene-2-carboxylic acid
SMILESCOC(C)(C)CNCc1ccsc1C(=O)O
InChIInChI=1S/C11H17NO3S/c1-11(2,15-3)7-12-6-8-4-5-16-9(8)10(13)14/h4-5,12H,6-7H2,1-3H3,(H,13,14)
InChIKeyQITAWWFOXPPCKI-UHFFFAOYSA-N
XLogP1.96
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[(2-methyl-2-methylsulfanylpropyl)amino]methyl]thiophene-2-carboxylic acid
CID 103265350
3-[(2-methoxyethylamino)methyl]thiophene-2-carboxylic acid
CID 103230956
3-[(2,2,3,3-tetrafluoropropylamino)methyl]thiophene-2-carboxylic acid
CID 106294365
3-[(cyclohexylmethylamino)methyl]thiophene-2-carboxylic acid
CID 103237843
3-[[(2-methoxyphenyl)methylamino]methyl]thiophene-2-carboxylic acid
CID 103231846
3-[[[2-(methoxymethyl)phenyl]methylamino]methyl]thiophene-2-carboxylic acid
CID 103240321
3-[(2-methylbutylamino)methyl]thiophene-2-carboxylic acid
CID 103249040
3-[[(6-methoxy-3-pyridinyl)methylamino]methyl]thiophene-2-carboxylic acid
CID 103250605
3-[(prop-2-enylamino)methyl]thiophene-2-carboxylic acid
CID 103230608
2-[5-[[(2-methoxy-2-methylpropyl)amino]methyl]thiophen-2-yl]acetic acid
CID 113450026
3-[[2-[ethyl(methyl)amino]ethylamino]methyl]thiophene-2-carboxylic acid
CID 103249183
3-[[4-(trifluoromethoxy)anilino]methyl]thiophene-2-carboxylic acid
CID 103233372

Frequently Asked Questions

What is the IUPAC name of 3-[[(2-methoxy-2-methylpropyl)amino]methyl]thiophene-2-carboxylic acid?
The IUPAC name of 3-[[(2-methoxy-2-methylpropyl)amino]methyl]thiophene-2-carboxylic acid (CID 103266052) is 3-[[(2-methoxy-2-methylpropyl)amino]methyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 3-[[(2-methoxy-2-methylpropyl)amino]methyl]thiophene-2-carboxylic acid?
The canonical SMILES for 3-[[(2-methoxy-2-methylpropyl)amino]methyl]thiophene-2-carboxylic acid is COC(C)(C)CNCc1ccsc1C(=O)O.
What is the InChIKey of 3-[[(2-methoxy-2-methylpropyl)amino]methyl]thiophene-2-carboxylic acid?
The InChIKey is QITAWWFOXPPCKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3S/c1-11(2,15-3)7-12-6-8-4-5-16-9(8)10(13)14/h4-5,12H,6-7H2,1-3H3,(H,13,14).
What are the key properties of 3-[[(2-methoxy-2-methylpropyl)amino]methyl]thiophene-2-carboxylic acid?
3-[[(2-methoxy-2-methylpropyl)amino]methyl]thiophene-2-carboxylic acid has a molecular weight of 243.33 g/mol, XLogP of 1.96, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2-methoxy-2-methylpropyl)amino]methyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 103266052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).