3-(2-methylpropanoylamino)thiophene-2-carboxylic acid

C9H11NO3S — CID 16773737

IUPAC3-(2-methylpropanoylamino)thiophene-2-carboxylic acid
SMILESCC(C)C(=O)Nc1ccsc1C(=O)O
InChIInChI=1S/C9H11NO3S/c1-5(2)8(11)10-6-3-4-14-7(6)9(12)13/h3-5H,1-2H3,(H,10,11)(H,12,13)
InChIKeyCIDNPMRDCMMXRG-UHFFFAOYSA-N
MW213.26 g/mol
LogP2.04
Rot. Bonds3

About 3-(2-methylpropanoylamino)thiophene-2-carboxylic acid

3-(2-methylpropanoylamino)thiophene-2-carboxylic acid (PubChem CID 16773737) has the molecular formula C9H11NO3S and a molecular weight of 213.26 g/mol. Its IUPAC name is 3-(2-methylpropanoylamino)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-(2-methylpropanoylamino)thiophene-2-carboxylic acid
PubChem CID16773737
Molecular FormulaC9H11NO3S
Molecular Weight213.26 g/mol
Exact Mass213.05
IUPAC Name3-(2-methylpropanoylamino)thiophene-2-carboxylic acid
SMILESCC(C)C(=O)Nc1ccsc1C(=O)O
InChIInChI=1S/C9H11NO3S/c1-5(2)8(11)10-6-3-4-14-7(6)9(12)13/h3-5H,1-2H3,(H,10,11)(H,12,13)
InChIKeyCIDNPMRDCMMXRG-UHFFFAOYSA-N
XLogP2.04
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.26
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-(2-methylpropanoylamino)thiophene-2-carboxylate
CID 4108556
3-(2-methylpropanoylamino)-N-propylthiophene-2-carboxamide
CID 68573099
3-[2-(4-bromophenoxy)propanoylamino]thiophene-2-carboxylic acid
CID 43357972
3-(2-phenoxybutanoylamino)thiophene-2-carboxylic acid
CID 43358002
3-(hydroxyamino)thiophene-2-carboxylic acid
CID 87561622
3-(propan-2-ylsulfinylamino)thiophene-2-carboxylic acid
CID 130863422
3-[3-(2-methylphenyl)propanoylamino]thiophene-2-carboxylic acid
CID 62367247
methyl 3-[(2-bromo-3-methylbutanoyl)amino]thiophene-2-carboxylate
CID 43130541
methyl 3-(2-phenoxypropanoylamino)thiophene-2-carboxylate
CID 18199794
3-(undecylcarbamoylamino)thiophene-2-carboxylic acid
CID 86032983
3-(methanesulfinamido)thiophene-2-carboxylic acid
CID 130992646
3-(3-methylsulfonylpropanoylamino)thiophene-2-carboxylic acid
CID 43358015

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropanoylamino)thiophene-2-carboxylic acid?
The IUPAC name of 3-(2-methylpropanoylamino)thiophene-2-carboxylic acid (CID 16773737) is 3-(2-methylpropanoylamino)thiophene-2-carboxylic acid.
What is the SMILES notation for 3-(2-methylpropanoylamino)thiophene-2-carboxylic acid?
The canonical SMILES for 3-(2-methylpropanoylamino)thiophene-2-carboxylic acid is CC(C)C(=O)Nc1ccsc1C(=O)O.
What is the InChIKey of 3-(2-methylpropanoylamino)thiophene-2-carboxylic acid?
The InChIKey is CIDNPMRDCMMXRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3S/c1-5(2)8(11)10-6-3-4-14-7(6)9(12)13/h3-5H,1-2H3,(H,10,11)(H,12,13).
What are the key properties of 3-(2-methylpropanoylamino)thiophene-2-carboxylic acid?
3-(2-methylpropanoylamino)thiophene-2-carboxylic acid has a molecular weight of 213.26 g/mol, XLogP of 2.04, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropanoylamino)thiophene-2-carboxylic acid is sourced from PubChem (CID 16773737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).