methyl 2-[(5-bromothiophene-3-carbonyl)amino]propanoate

C9H10BrNO3S — CID 60735474

IUPACmethyl 2-[(5-bromothiophene-3-carbonyl)amino]propanoate
SMILESCOC(=O)C(C)NC(=O)c1csc(Br)c1
InChIInChI=1S/C9H10BrNO3S/c1-5(9(13)14-2)11-8(12)6-3-7(10)15-4-6/h3-5H,1-2H3,(H,11,12)
InChIKeyAXPCGIXDSZAOBS-UHFFFAOYSA-N
MW292.15 g/mol
LogP1.80
Rot. Bonds3

About methyl 2-[(5-bromothiophene-3-carbonyl)amino]propanoate

methyl 2-[(5-bromothiophene-3-carbonyl)amino]propanoate (PubChem CID 60735474) has the molecular formula C9H10BrNO3S and a molecular weight of 292.15 g/mol. Its IUPAC name is methyl 2-[(5-bromothiophene-3-carbonyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 2-[(5-bromothiophene-3-carbonyl)amino]propanoate
PubChem CID60735474
Molecular FormulaC9H10BrNO3S
Molecular Weight292.15 g/mol
Exact Mass290.96
IUPAC Namemethyl 2-[(5-bromothiophene-3-carbonyl)amino]propanoate
SMILESCOC(=O)C(C)NC(=O)c1csc(Br)c1
InChIInChI=1S/C9H10BrNO3S/c1-5(9(13)14-2)11-8(12)6-3-7(10)15-4-6/h3-5H,1-2H3,(H,11,12)
InChIKeyAXPCGIXDSZAOBS-UHFFFAOYSA-N
XLogP1.80
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.15
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 2-[(5-bromothiophene-3-carbonyl)amino]propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-[(5-bromothiophene-3-carbonyl)amino]-3-hydroxypropanoate
CID 43623494
5-bromo-N-(3-oxopentan-2-yl)thiophene-3-carboxamide
CID 107961893
N-[(2S)-1-aminopropan-2-yl]-5-bromothiophene-3-carboxamide
CID 120505953
5-bromo-N-(4-bromobutan-2-yl)thiophene-3-carboxamide
CID 107966213
2-[(5-bromothiophene-3-carbonyl)amino]-3-methylbutanoic acid
CID 43354005
N-[1-(4-aminophenyl)ethyl]-5-bromothiophene-3-carboxamide
CID 114020924
methyl 2-[[5-(3-aminoprop-1-ynyl)thiophene-3-carbonyl]amino]propanoate
CID 79684750
5-bromo-N-(4-hydroxy-3-methylbutan-2-yl)thiophene-3-carboxamide
CID 115734936
5-bromo-N-[1-(4-bromophenyl)ethyl]thiophene-3-carboxamide
CID 47159789
5-bromo-N-(4-chlorobutan-2-yl)thiophene-3-carboxamide
CID 107966210
5-bromo-N-(1-ethoxypropan-2-yl)thiophene-3-carboxamide
CID 47901542
methyl 2-[(4-bromobenzoyl)amino]propanoate
CID 531405

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(5-bromothiophene-3-carbonyl)amino]propanoate?
The IUPAC name of methyl 2-[(5-bromothiophene-3-carbonyl)amino]propanoate (CID 60735474) is methyl 2-[(5-bromothiophene-3-carbonyl)amino]propanoate.
What is the SMILES notation for methyl 2-[(5-bromothiophene-3-carbonyl)amino]propanoate?
The canonical SMILES for methyl 2-[(5-bromothiophene-3-carbonyl)amino]propanoate is COC(=O)C(C)NC(=O)c1csc(Br)c1.
What is the InChIKey of methyl 2-[(5-bromothiophene-3-carbonyl)amino]propanoate?
The InChIKey is AXPCGIXDSZAOBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrNO3S/c1-5(9(13)14-2)11-8(12)6-3-7(10)15-4-6/h3-5H,1-2H3,(H,11,12).
What are the key properties of methyl 2-[(5-bromothiophene-3-carbonyl)amino]propanoate?
methyl 2-[(5-bromothiophene-3-carbonyl)amino]propanoate has a molecular weight of 292.15 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(5-bromothiophene-3-carbonyl)amino]propanoate is sourced from PubChem (CID 60735474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).