methyl 3-(2-methylpropanoylamino)thiophene-2-carboxylate

C10H13NO3S — CID 4108556

IUPACmethyl 3-(2-methylpropanoylamino)thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1NC(=O)C(C)C
InChIInChI=1S/C10H13NO3S/c1-6(2)9(12)11-7-4-5-15-8(7)10(13)14-3/h4-6H,1-3H3,(H,11,12)
InChIKeyXZYWRHRGYIGCLK-UHFFFAOYSA-N
MW227.28 g/mol
LogP2.13
Rot. Bonds3

About methyl 3-(2-methylpropanoylamino)thiophene-2-carboxylate

methyl 3-(2-methylpropanoylamino)thiophene-2-carboxylate (PubChem CID 4108556) has the molecular formula C10H13NO3S and a molecular weight of 227.28 g/mol. Its IUPAC name is methyl 3-(2-methylpropanoylamino)thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-(2-methylpropanoylamino)thiophene-2-carboxylate
PubChem CID4108556
Molecular FormulaC10H13NO3S
Molecular Weight227.28 g/mol
Exact Mass227.06
IUPAC Namemethyl 3-(2-methylpropanoylamino)thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1NC(=O)C(C)C
InChIInChI=1S/C10H13NO3S/c1-6(2)9(12)11-7-4-5-15-8(7)10(13)14-3/h4-6H,1-3H3,(H,11,12)
InChIKeyXZYWRHRGYIGCLK-UHFFFAOYSA-N
XLogP2.13
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.28
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 3-(2-methylpropanoylamino)thiophene-2-carboxylate 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

methyl 3-[(2-bromo-3-methylbutanoyl)amino]thiophene-2-carboxylate
CID 43130541
3-(2-methylpropanoylamino)thiophene-2-carboxylic acid
CID 16773737
methyl 3-(2-cyclopropylpropanoylamino)thiophene-2-carboxylate
CID 79506555
methyl 3-[[2-(aminomethyl)-3-methylbutanoyl]amino]thiophene-2-carboxylate
CID 65228981
methyl 3-[[(2S)-2-aminobutanoyl]amino]thiophene-2-carboxylate
CID 79023231
methyl 3-(2-methylhexanoylamino)thiophene-2-carboxylate
CID 114246788
methyl 3-(2-phenoxypropanoylamino)thiophene-2-carboxylate
CID 18199794
methyl 3-[2-(2-methoxycarbonylthiophen-3-yl)hydrazinyl]thiophene-2-carboxylate
CID 125484069
methyl 3-[(2-bromo-2-phenylacetyl)amino]thiophene-2-carboxylate
CID 69190587
methyl 3-[[(2S)-2-(3-chlorophenoxy)propanoyl]amino]thiophene-2-carboxylate
CID 898480
methyl 3-(methylamino)thiophene-2-carboxylate
CID 19005896
methyl 3-(hydroxyamino)thiophene-2-carboxylate
CID 90258603

Frequently Asked Questions

What is the IUPAC name of methyl 3-(2-methylpropanoylamino)thiophene-2-carboxylate?
The IUPAC name of methyl 3-(2-methylpropanoylamino)thiophene-2-carboxylate (CID 4108556) is methyl 3-(2-methylpropanoylamino)thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-(2-methylpropanoylamino)thiophene-2-carboxylate?
The canonical SMILES for methyl 3-(2-methylpropanoylamino)thiophene-2-carboxylate is COC(=O)c1sccc1NC(=O)C(C)C.
What is the InChIKey of methyl 3-(2-methylpropanoylamino)thiophene-2-carboxylate?
The InChIKey is XZYWRHRGYIGCLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3S/c1-6(2)9(12)11-7-4-5-15-8(7)10(13)14-3/h4-6H,1-3H3,(H,11,12).
What are the key properties of methyl 3-(2-methylpropanoylamino)thiophene-2-carboxylate?
methyl 3-(2-methylpropanoylamino)thiophene-2-carboxylate has a molecular weight of 227.28 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2-methylpropanoylamino)thiophene-2-carboxylate is sourced from PubChem (CID 4108556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).