methyl 3-[(2-amino-2-methylbutanoyl)amino]thiophene-2-carboxylate

C11H16N2O3S — CID 79805278

IUPACmethyl 3-[(2-amino-2-methylbutanoyl)amino]thiophene-2-carboxylate
SMILESCCC(C)(N)C(=O)Nc1ccsc1C(=O)OC
InChIInChI=1S/C11H16N2O3S/c1-4-11(2,12)10(15)13-7-5-6-17-8(7)9(14)16-3/h5-6H,4,12H2,1-3H3,(H,13,15)
InChIKeyNQJDLTODCGBUSU-UHFFFAOYSA-N
MW256.33 g/mol
LogP1.60
Rot. Bonds4

About methyl 3-[(2-amino-2-methylbutanoyl)amino]thiophene-2-carboxylate

methyl 3-[(2-amino-2-methylbutanoyl)amino]thiophene-2-carboxylate (PubChem CID 79805278) has the molecular formula C11H16N2O3S and a molecular weight of 256.33 g/mol. Its IUPAC name is methyl 3-[(2-amino-2-methylbutanoyl)amino]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(2-amino-2-methylbutanoyl)amino]thiophene-2-carboxylate
PubChem CID79805278
Molecular FormulaC11H16N2O3S
Molecular Weight256.33 g/mol
Exact Mass256.09
IUPAC Namemethyl 3-[(2-amino-2-methylbutanoyl)amino]thiophene-2-carboxylate
SMILESCCC(C)(N)C(=O)Nc1ccsc1C(=O)OC
InChIInChI=1S/C11H16N2O3S/c1-4-11(2,12)10(15)13-7-5-6-17-8(7)9(14)16-3/h5-6H,4,12H2,1-3H3,(H,13,15)
InChIKeyNQJDLTODCGBUSU-UHFFFAOYSA-N
XLogP1.60
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[(2-carbamothioyl-2-methylbutanoyl)amino]thiophene-2-carboxylate
CID 114291899
methyl 3-[[2-(ethylamino)-2-methylpropanoyl]amino]thiophene-2-carboxylate
CID 62836849
methyl 3-[[(2S)-2-aminobutanoyl]amino]thiophene-2-carboxylate
CID 79023231
methyl 3-(2,2,2-trifluoroethylamino)thiophene-2-carboxylate
CID 69175818
methyl 3-[2-(2-methoxycarbonylthiophen-3-yl)hydrazinyl]thiophene-2-carboxylate
CID 125484069
methyl 3-[(4-ethoxy-4-oxobut-1-en-2-yl)amino]thiophene-2-carboxylate
CID 58938225
methyl 3-[(2-amino-2-methylbutanoyl)amino]-2-methylbenzoate
CID 79797809
methyl 3-(hydroxyamino)thiophene-2-carboxylate
CID 90258603
methyl 3-(methylamino)thiophene-2-carboxylate
CID 19005896
methyl 3-(2-methylpropanoylamino)thiophene-2-carboxylate
CID 4108556
methyl 3-(3-bromopropanoylamino)thiophene-2-carboxylate
CID 69190095
methyl 3-[[2-(propylamino)acetyl]amino]thiophene-2-carboxylate
CID 60703502

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2-amino-2-methylbutanoyl)amino]thiophene-2-carboxylate?
The IUPAC name of methyl 3-[(2-amino-2-methylbutanoyl)amino]thiophene-2-carboxylate (CID 79805278) is methyl 3-[(2-amino-2-methylbutanoyl)amino]thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-[(2-amino-2-methylbutanoyl)amino]thiophene-2-carboxylate?
The canonical SMILES for methyl 3-[(2-amino-2-methylbutanoyl)amino]thiophene-2-carboxylate is CCC(C)(N)C(=O)Nc1ccsc1C(=O)OC.
What is the InChIKey of methyl 3-[(2-amino-2-methylbutanoyl)amino]thiophene-2-carboxylate?
The InChIKey is NQJDLTODCGBUSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3S/c1-4-11(2,12)10(15)13-7-5-6-17-8(7)9(14)16-3/h5-6H,4,12H2,1-3H3,(H,13,15).
What are the key properties of methyl 3-[(2-amino-2-methylbutanoyl)amino]thiophene-2-carboxylate?
methyl 3-[(2-amino-2-methylbutanoyl)amino]thiophene-2-carboxylate has a molecular weight of 256.33 g/mol, XLogP of 1.60, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(2-amino-2-methylbutanoyl)amino]thiophene-2-carboxylate is sourced from PubChem (CID 79805278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).