methyl 4-methyl-3-[[(2S)-2-(propylamino)propanoyl]amino]thiophene-2-carboxylate

C13H20N2O3S — CID 6604377

IUPACmethyl 4-methyl-3-[[(2S)-2-(propylamino)propanoyl]amino]thiophene-2-carboxylate
SMILESCCCN[C@@H](C)C(=O)Nc1c(C)csc1C(=O)OC
InChIInChI=1S/C13H20N2O3S/c1-5-6-14-9(3)12(16)15-10-8(2)7-19-11(10)13(17)18-4/h7,9,14H,5-6H2,1-4H3,(H,15,16)/t9-/m0/s1
InChIKeyQTGIAADRBBLJGA-VIFPVBQESA-N
MW284.38 g/mol
LogP2.17
Rot. Bonds6

About methyl 4-methyl-3-[[(2S)-2-(propylamino)propanoyl]amino]thiophene-2-carboxylate

methyl 4-methyl-3-[[(2S)-2-(propylamino)propanoyl]amino]thiophene-2-carboxylate (PubChem CID 6604377) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is methyl 4-methyl-3-[[(2S)-2-(propylamino)propanoyl]amino]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-methyl-3-[[(2S)-2-(propylamino)propanoyl]amino]thiophene-2-carboxylate
PubChem CID6604377
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Namemethyl 4-methyl-3-[[(2S)-2-(propylamino)propanoyl]amino]thiophene-2-carboxylate
SMILESCCCN[C@@H](C)C(=O)Nc1c(C)csc1C(=O)OC
InChIInChI=1S/C13H20N2O3S/c1-5-6-14-9(3)12(16)15-10-8(2)7-19-11(10)13(17)18-4/h7,9,14H,5-6H2,1-4H3,(H,15,16)/t9-/m0/s1
InChIKeyQTGIAADRBBLJGA-VIFPVBQESA-N
XLogP2.17
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-3-[[(2S)-2-(propylamino)propanoyl]amino]thiophene-2-carboxylate?
The IUPAC name of methyl 4-methyl-3-[[(2S)-2-(propylamino)propanoyl]amino]thiophene-2-carboxylate (CID 6604377) is methyl 4-methyl-3-[[(2S)-2-(propylamino)propanoyl]amino]thiophene-2-carboxylate.
What is the SMILES notation for methyl 4-methyl-3-[[(2S)-2-(propylamino)propanoyl]amino]thiophene-2-carboxylate?
The canonical SMILES for methyl 4-methyl-3-[[(2S)-2-(propylamino)propanoyl]amino]thiophene-2-carboxylate is CCCN[C@@H](C)C(=O)Nc1c(C)csc1C(=O)OC.
What is the InChIKey of methyl 4-methyl-3-[[(2S)-2-(propylamino)propanoyl]amino]thiophene-2-carboxylate?
The InChIKey is QTGIAADRBBLJGA-VIFPVBQESA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-5-6-14-9(3)12(16)15-10-8(2)7-19-11(10)13(17)18-4/h7,9,14H,5-6H2,1-4H3,(H,15,16)/t9-/m0/s1.
What are the key properties of methyl 4-methyl-3-[[(2S)-2-(propylamino)propanoyl]amino]thiophene-2-carboxylate?
methyl 4-methyl-3-[[(2S)-2-(propylamino)propanoyl]amino]thiophene-2-carboxylate has a molecular weight of 284.38 g/mol, XLogP of 2.17, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-3-[[(2S)-2-(propylamino)propanoyl]amino]thiophene-2-carboxylate is sourced from PubChem (CID 6604377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).