5-[(2-methyl-2-thiophen-2-ylpropyl)amino]furan-2-carboxylic acid

C13H15NO3S — CID 80528245

IUPAC5-[(2-methyl-2-thiophen-2-ylpropyl)amino]furan-2-carboxylic acid
SMILESCC(C)(CNc1ccc(C(=O)O)o1)c1cccs1
InChIInChI=1S/C13H15NO3S/c1-13(2,10-4-3-7-18-10)8-14-11-6-5-9(17-11)12(15)16/h3-7,14H,8H2,1-2H3,(H,15,16)
InChIKeyKRRXDGJQEJGAAJ-UHFFFAOYSA-N
MW265.33 g/mol
LogP3.43
Rot. Bonds5

About 5-[(2-methyl-2-thiophen-2-ylpropyl)amino]furan-2-carboxylic acid

5-[(2-methyl-2-thiophen-2-ylpropyl)amino]furan-2-carboxylic acid (PubChem CID 80528245) has the molecular formula C13H15NO3S and a molecular weight of 265.33 g/mol. Its IUPAC name is 5-[(2-methyl-2-thiophen-2-ylpropyl)amino]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[(2-methyl-2-thiophen-2-ylpropyl)amino]furan-2-carboxylic acid
PubChem CID80528245
Molecular FormulaC13H15NO3S
Molecular Weight265.33 g/mol
Exact Mass265.08
IUPAC Name5-[(2-methyl-2-thiophen-2-ylpropyl)amino]furan-2-carboxylic acid
SMILESCC(C)(CNc1ccc(C(=O)O)o1)c1cccs1
InChIInChI=1S/C13H15NO3S/c1-13(2,10-4-3-7-18-10)8-14-11-6-5-9(17-11)12(15)16/h3-7,14H,8H2,1-2H3,(H,15,16)
InChIKeyKRRXDGJQEJGAAJ-UHFFFAOYSA-N
XLogP3.43
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-4-[[(2-methyl-2-thiophen-2-ylpropyl)amino]methyl]furan-2-carboxylic acid
CID 103257600
4-[(2-methyl-2-thiophen-2-ylpropyl)amino]benzoic acid
CID 80528287
5-bromo-N-(2-methyl-2-thiophen-2-ylpropyl)furan-2-carboxamide
CID 78962266
5-[[2-(dimethylamino)-2-methylpropyl]amino]furan-2-carboxylic acid
CID 62204256
4-[(2-methyl-2-thiophen-2-ylpropyl)carbamoyl]benzoic acid
CID 80524374
2,2-dimethyl-3-[(2-methyl-2-thiophen-2-ylpropyl)amino]-3-oxopropanoic acid
CID 82821603
5-[(2-methyl-1-thiophen-2-ylpropyl)amino]furan-2-carboxylic acid
CID 62205503
3,3-dimethyl-4-[(2-methyl-2-thiophen-2-ylpropyl)amino]butanoic acid
CID 115220479
N-tert-butyl-2-[(2-methyl-2-thiophen-2-ylpropyl)amino]acetamide
CID 80527486
2-[[(2-methyl-2-thiophen-2-ylpropyl)amino]methyl]butanoic acid
CID 115250143
1-amino-N-(2-methyl-2-thiophen-2-ylpropyl)cyclopentane-1-carboxamide;hydrochloride
CID 119325984
3-methyl-5-[(2-methyl-2-thiophen-2-ylpropyl)amino]-1,2-thiazole-4-carboxylic acid
CID 80527810

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methyl-2-thiophen-2-ylpropyl)amino]furan-2-carboxylic acid?
The IUPAC name of 5-[(2-methyl-2-thiophen-2-ylpropyl)amino]furan-2-carboxylic acid (CID 80528245) is 5-[(2-methyl-2-thiophen-2-ylpropyl)amino]furan-2-carboxylic acid.
What is the SMILES notation for 5-[(2-methyl-2-thiophen-2-ylpropyl)amino]furan-2-carboxylic acid?
The canonical SMILES for 5-[(2-methyl-2-thiophen-2-ylpropyl)amino]furan-2-carboxylic acid is CC(C)(CNc1ccc(C(=O)O)o1)c1cccs1.
What is the InChIKey of 5-[(2-methyl-2-thiophen-2-ylpropyl)amino]furan-2-carboxylic acid?
The InChIKey is KRRXDGJQEJGAAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3S/c1-13(2,10-4-3-7-18-10)8-14-11-6-5-9(17-11)12(15)16/h3-7,14H,8H2,1-2H3,(H,15,16).
What are the key properties of 5-[(2-methyl-2-thiophen-2-ylpropyl)amino]furan-2-carboxylic acid?
5-[(2-methyl-2-thiophen-2-ylpropyl)amino]furan-2-carboxylic acid has a molecular weight of 265.33 g/mol, XLogP of 3.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methyl-2-thiophen-2-ylpropyl)amino]furan-2-carboxylic acid is sourced from PubChem (CID 80528245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).