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

C12H15NO3S — CID 79506555

IUPACmethyl 3-(2-cyclopropylpropanoylamino)thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1NC(=O)C(C)C1CC1
InChIInChI=1S/C12H15NO3S/c1-7(8-3-4-8)11(14)13-9-5-6-17-10(9)12(15)16-2/h5-8H,3-4H2,1-2H3,(H,13,14)
InChIKeyPLUBRCGEIODACB-UHFFFAOYSA-N
MW253.32 g/mol
LogP2.52
Rot. Bonds4

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

methyl 3-(2-cyclopropylpropanoylamino)thiophene-2-carboxylate (PubChem CID 79506555) has the molecular formula C12H15NO3S and a molecular weight of 253.32 g/mol. Its IUPAC name is methyl 3-(2-cyclopropylpropanoylamino)thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-(2-cyclopropylpropanoylamino)thiophene-2-carboxylate
PubChem CID79506555
Molecular FormulaC12H15NO3S
Molecular Weight253.32 g/mol
Exact Mass253.08
IUPAC Namemethyl 3-(2-cyclopropylpropanoylamino)thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1NC(=O)C(C)C1CC1
InChIInChI=1S/C12H15NO3S/c1-7(8-3-4-8)11(14)13-9-5-6-17-10(9)12(15)16-2/h5-8H,3-4H2,1-2H3,(H,13,14)
InChIKeyPLUBRCGEIODACB-UHFFFAOYSA-N
XLogP2.52
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-(2-methylpropanoylamino)thiophene-2-carboxylate
CID 4108556
methyl 3-[(2-bromo-3-methylbutanoyl)amino]thiophene-2-carboxylate
CID 43130541
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-[[(1R,2R)-2-methylcyclopropanecarbonyl]amino]thiophene-2-carboxylate
CID 93038584
methyl 3-[(2-bromo-2-phenylacetyl)amino]thiophene-2-carboxylate
CID 69190587
methyl 3-[[2-(cyclopropylamino)acetyl]amino]thiophene-2-carboxylate
CID 60703682
methyl 4-[[2-[(2-methoxycarbonylthiophen-3-yl)amino]-2-oxoacetyl]amino]piperidine-1-carboxylate
CID 75400277
methyl 3-(hydroxyamino)thiophene-2-carboxylate
CID 90258603

Frequently Asked Questions

What is the IUPAC name of methyl 3-(2-cyclopropylpropanoylamino)thiophene-2-carboxylate?
The IUPAC name of methyl 3-(2-cyclopropylpropanoylamino)thiophene-2-carboxylate (CID 79506555) is methyl 3-(2-cyclopropylpropanoylamino)thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-(2-cyclopropylpropanoylamino)thiophene-2-carboxylate?
The canonical SMILES for methyl 3-(2-cyclopropylpropanoylamino)thiophene-2-carboxylate is COC(=O)c1sccc1NC(=O)C(C)C1CC1.
What is the InChIKey of methyl 3-(2-cyclopropylpropanoylamino)thiophene-2-carboxylate?
The InChIKey is PLUBRCGEIODACB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3S/c1-7(8-3-4-8)11(14)13-9-5-6-17-10(9)12(15)16-2/h5-8H,3-4H2,1-2H3,(H,13,14).
What are the key properties of methyl 3-(2-cyclopropylpropanoylamino)thiophene-2-carboxylate?
methyl 3-(2-cyclopropylpropanoylamino)thiophene-2-carboxylate has a molecular weight of 253.32 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2-cyclopropylpropanoylamino)thiophene-2-carboxylate is sourced from PubChem (CID 79506555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).