5-[[(3-cyclopentyl-2-methylpropanoyl)amino]methyl]thiophene-2-carboxylic acid

C15H21NO3S — CID 122110600

IUPAC5-[[(3-cyclopentyl-2-methylpropanoyl)amino]methyl]thiophene-2-carboxylic acid
SMILESCC(CC1CCCC1)C(=O)NCc1ccc(C(=O)O)s1
InChIInChI=1S/C15H21NO3S/c1-10(8-11-4-2-3-5-11)14(17)16-9-12-6-7-13(20-12)15(18)19/h6-7,10-11H,2-5,8-9H2,1H3,(H,16,17)(H,18,19)
InChIKeyMHBZJFKAWRZDPM-UHFFFAOYSA-N
MW295.40 g/mol
LogP3.28
Rot. Bonds6

About 5-[[(3-cyclopentyl-2-methylpropanoyl)amino]methyl]thiophene-2-carboxylic acid

5-[[(3-cyclopentyl-2-methylpropanoyl)amino]methyl]thiophene-2-carboxylic acid (PubChem CID 122110600) has the molecular formula C15H21NO3S and a molecular weight of 295.40 g/mol. Its IUPAC name is 5-[[(3-cyclopentyl-2-methylpropanoyl)amino]methyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[[(3-cyclopentyl-2-methylpropanoyl)amino]methyl]thiophene-2-carboxylic acid
PubChem CID122110600
Molecular FormulaC15H21NO3S
Molecular Weight295.40 g/mol
Exact Mass295.12
IUPAC Name5-[[(3-cyclopentyl-2-methylpropanoyl)amino]methyl]thiophene-2-carboxylic acid
SMILESCC(CC1CCCC1)C(=O)NCc1ccc(C(=O)O)s1
InChIInChI=1S/C15H21NO3S/c1-10(8-11-4-2-3-5-11)14(17)16-9-12-6-7-13(20-12)15(18)19/h6-7,10-11H,2-5,8-9H2,1H3,(H,16,17)(H,18,19)
InChIKeyMHBZJFKAWRZDPM-UHFFFAOYSA-N
XLogP3.28
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.40
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[[(3-cyclopentyl-2-methylpropanoyl)amino]methyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-[[(3-cyclopentyl-2-methylpropanoyl)amino]methyl]thiophene-2-carboxylic acid (CID 122110600) is 5-[[(3-cyclopentyl-2-methylpropanoyl)amino]methyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[[(3-cyclopentyl-2-methylpropanoyl)amino]methyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[[(3-cyclopentyl-2-methylpropanoyl)amino]methyl]thiophene-2-carboxylic acid is CC(CC1CCCC1)C(=O)NCc1ccc(C(=O)O)s1.
What is the InChIKey of 5-[[(3-cyclopentyl-2-methylpropanoyl)amino]methyl]thiophene-2-carboxylic acid?
The InChIKey is MHBZJFKAWRZDPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3S/c1-10(8-11-4-2-3-5-11)14(17)16-9-12-6-7-13(20-12)15(18)19/h6-7,10-11H,2-5,8-9H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 5-[[(3-cyclopentyl-2-methylpropanoyl)amino]methyl]thiophene-2-carboxylic acid?
5-[[(3-cyclopentyl-2-methylpropanoyl)amino]methyl]thiophene-2-carboxylic acid has a molecular weight of 295.40 g/mol, XLogP of 3.28, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(3-cyclopentyl-2-methylpropanoyl)amino]methyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 122110600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).