methyl 3-[[(2S)-pyrrolidine-2-carbonyl]amino]thiophene-2-carboxylate

C11H14N2O3S — CID 61260637

IUPACmethyl 3-[[(2S)-pyrrolidine-2-carbonyl]amino]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1NC(=O)[C@@H]1CCCN1
InChIInChI=1S/C11H14N2O3S/c1-16-11(15)9-7(4-6-17-9)13-10(14)8-3-2-5-12-8/h4,6,8,12H,2-3,5H2,1H3,(H,13,14)/t8-/m0/s1
InChIKeySYCLFEXTPCGLFC-QMMMGPOBSA-N
MW254.31 g/mol
LogP1.23
Rot. Bonds3

About methyl 3-[[(2S)-pyrrolidine-2-carbonyl]amino]thiophene-2-carboxylate

methyl 3-[[(2S)-pyrrolidine-2-carbonyl]amino]thiophene-2-carboxylate (PubChem CID 61260637) has the molecular formula C11H14N2O3S and a molecular weight of 254.31 g/mol. Its IUPAC name is methyl 3-[[(2S)-pyrrolidine-2-carbonyl]amino]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[[(2S)-pyrrolidine-2-carbonyl]amino]thiophene-2-carboxylate
PubChem CID61260637
Molecular FormulaC11H14N2O3S
Molecular Weight254.31 g/mol
Exact Mass254.07
IUPAC Namemethyl 3-[[(2S)-pyrrolidine-2-carbonyl]amino]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1NC(=O)[C@@H]1CCCN1
InChIInChI=1S/C11H14N2O3S/c1-16-11(15)9-7(4-6-17-9)13-10(14)8-3-2-5-12-8/h4,6,8,12H,2-3,5H2,1H3,(H,13,14)/t8-/m0/s1
InChIKeySYCLFEXTPCGLFC-QMMMGPOBSA-N
XLogP1.23
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[[(2S)-pyrrolidine-2-carbonyl]amino]thiophene-2-carboxylate?
The IUPAC name of methyl 3-[[(2S)-pyrrolidine-2-carbonyl]amino]thiophene-2-carboxylate (CID 61260637) is methyl 3-[[(2S)-pyrrolidine-2-carbonyl]amino]thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-[[(2S)-pyrrolidine-2-carbonyl]amino]thiophene-2-carboxylate?
The canonical SMILES for methyl 3-[[(2S)-pyrrolidine-2-carbonyl]amino]thiophene-2-carboxylate is COC(=O)c1sccc1NC(=O)[C@@H]1CCCN1.
What is the InChIKey of methyl 3-[[(2S)-pyrrolidine-2-carbonyl]amino]thiophene-2-carboxylate?
The InChIKey is SYCLFEXTPCGLFC-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H14N2O3S/c1-16-11(15)9-7(4-6-17-9)13-10(14)8-3-2-5-12-8/h4,6,8,12H,2-3,5H2,1H3,(H,13,14)/t8-/m0/s1.
What are the key properties of methyl 3-[[(2S)-pyrrolidine-2-carbonyl]amino]thiophene-2-carboxylate?
methyl 3-[[(2S)-pyrrolidine-2-carbonyl]amino]thiophene-2-carboxylate has a molecular weight of 254.31 g/mol, XLogP of 1.23, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[(2S)-pyrrolidine-2-carbonyl]amino]thiophene-2-carboxylate is sourced from PubChem (CID 61260637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).