methyl 3-[[(1R,2R)-2-methylcyclopropanecarbonyl]amino]thiophene-2-carboxylate

C11H13NO3S — CID 93038584

IUPACmethyl 3-[[(1R,2R)-2-methylcyclopropanecarbonyl]amino]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1NC(=O)[C@@H]1C[C@H]1C
InChIInChI=1S/C11H13NO3S/c1-6-5-7(6)10(13)12-8-3-4-16-9(8)11(14)15-2/h3-4,6-7H,5H2,1-2H3,(H,12,13)/t6-,7-/m1/s1
InChIKeyWNUUPAXJWOBHKE-RNFRBKRXSA-N
MW239.30 g/mol
LogP2.13
Rot. Bonds3

About methyl 3-[[(1R,2R)-2-methylcyclopropanecarbonyl]amino]thiophene-2-carboxylate

methyl 3-[[(1R,2R)-2-methylcyclopropanecarbonyl]amino]thiophene-2-carboxylate (PubChem CID 93038584) has the molecular formula C11H13NO3S and a molecular weight of 239.30 g/mol. Its IUPAC name is methyl 3-[[(1R,2R)-2-methylcyclopropanecarbonyl]amino]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[[(1R,2R)-2-methylcyclopropanecarbonyl]amino]thiophene-2-carboxylate
PubChem CID93038584
Molecular FormulaC11H13NO3S
Molecular Weight239.30 g/mol
Exact Mass239.06
IUPAC Namemethyl 3-[[(1R,2R)-2-methylcyclopropanecarbonyl]amino]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1NC(=O)[C@@H]1C[C@H]1C
InChIInChI=1S/C11H13NO3S/c1-6-5-7(6)10(13)12-8-3-4-16-9(8)11(14)15-2/h3-4,6-7H,5H2,1-2H3,(H,12,13)/t6-,7-/m1/s1
InChIKeyWNUUPAXJWOBHKE-RNFRBKRXSA-N
XLogP2.13
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.30
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2-methoxycarbonylthiophen-3-yl)carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 17379076
methyl 3-[2-(2-methoxycarbonylthiophen-3-yl)hydrazinyl]thiophene-2-carboxylate
CID 125484069
3-[(2-methoxycarbonylthiophen-3-yl)carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 52996805
methyl 3-(2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonylamino)thiophene-2-carboxylate
CID 61259005
methyl 3-(methylamino)thiophene-2-carboxylate
CID 19005896
methyl 3-(hydroxyamino)thiophene-2-carboxylate
CID 90258603
methyl 3-(2-methylpropanoylamino)thiophene-2-carboxylate
CID 4108556
methyl 3-(2-cyclopropylpropanoylamino)thiophene-2-carboxylate
CID 79506555
methyl 3-(2,3-dihydro-1,4-benzodioxine-3-carbonylamino)thiophene-2-carboxylate
CID 17413130
methyl 3-[(1-methylsulfonylpyrrolidine-2-carbonyl)amino]thiophene-2-carboxylate
CID 43408259
methyl 3-(2,3-dihydro-1H-indole-3-carbonylamino)thiophene-2-carboxylate
CID 80563427
methyl 3-[[2-(cyclopropylamino)acetyl]amino]thiophene-2-carboxylate
CID 60703682

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[(1R,2R)-2-methylcyclopropanecarbonyl]amino]thiophene-2-carboxylate?
The IUPAC name of methyl 3-[[(1R,2R)-2-methylcyclopropanecarbonyl]amino]thiophene-2-carboxylate (CID 93038584) is methyl 3-[[(1R,2R)-2-methylcyclopropanecarbonyl]amino]thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-[[(1R,2R)-2-methylcyclopropanecarbonyl]amino]thiophene-2-carboxylate?
The canonical SMILES for methyl 3-[[(1R,2R)-2-methylcyclopropanecarbonyl]amino]thiophene-2-carboxylate is COC(=O)c1sccc1NC(=O)[C@@H]1C[C@H]1C.
What is the InChIKey of methyl 3-[[(1R,2R)-2-methylcyclopropanecarbonyl]amino]thiophene-2-carboxylate?
The InChIKey is WNUUPAXJWOBHKE-RNFRBKRXSA-N. The full InChI is InChI=1S/C11H13NO3S/c1-6-5-7(6)10(13)12-8-3-4-16-9(8)11(14)15-2/h3-4,6-7H,5H2,1-2H3,(H,12,13)/t6-,7-/m1/s1.
What are the key properties of methyl 3-[[(1R,2R)-2-methylcyclopropanecarbonyl]amino]thiophene-2-carboxylate?
methyl 3-[[(1R,2R)-2-methylcyclopropanecarbonyl]amino]thiophene-2-carboxylate has a molecular weight of 239.30 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-[[(1R,2R)-2-methylcyclopropanecarbonyl]amino]thiophene-2-carboxylate is sourced from PubChem (CID 93038584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).