[(2R)-1-oxo-1-(prop-2-enylamino)propan-2-yl] 4,5-dibromothiophene-2-carboxylate

C11H11Br2NO3S — CID 8937896

IUPAC[(2R)-1-oxo-1-(prop-2-enylamino)propan-2-yl] 4,5-dibromothiophene-2-carboxylate
SMILESC=CCNC(=O)[C@@H](C)OC(=O)c1cc(Br)c(Br)s1
InChIInChI=1S/C11H11Br2NO3S/c1-3-4-14-10(15)6(2)17-11(16)8-5-7(12)9(13)18-8/h3,5-6H,1,4H2,2H3,(H,14,15)/t6-/m1/s1
InChIKeyYVQZEHOFDKHONR-ZCFIWIBFSA-N
MW397.09 g/mol
LogP3.12
Rot. Bonds5

About [(2R)-1-oxo-1-(prop-2-enylamino)propan-2-yl] 4,5-dibromothiophene-2-carboxylate

[(2R)-1-oxo-1-(prop-2-enylamino)propan-2-yl] 4,5-dibromothiophene-2-carboxylate (PubChem CID 8937896) has the molecular formula C11H11Br2NO3S and a molecular weight of 397.09 g/mol. Its IUPAC name is [(2R)-1-oxo-1-(prop-2-enylamino)propan-2-yl] 4,5-dibromothiophene-2-carboxylate.

Molecular Properties

Compound Name[(2R)-1-oxo-1-(prop-2-enylamino)propan-2-yl] 4,5-dibromothiophene-2-carboxylate
PubChem CID8937896
Molecular FormulaC11H11Br2NO3S
Molecular Weight397.09 g/mol
Exact Mass394.88
IUPAC Name[(2R)-1-oxo-1-(prop-2-enylamino)propan-2-yl] 4,5-dibromothiophene-2-carboxylate
SMILESC=CCNC(=O)[C@@H](C)OC(=O)c1cc(Br)c(Br)s1
InChIInChI=1S/C11H11Br2NO3S/c1-3-4-14-10(15)6(2)17-11(16)8-5-7(12)9(13)18-8/h3,5-6H,1,4H2,2H3,(H,14,15)/t6-/m1/s1
InChIKeyYVQZEHOFDKHONR-ZCFIWIBFSA-N
XLogP3.12
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.09
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze [(2R)-1-oxo-1-(prop-2-enylamino)propan-2-yl] 4,5-dibromothiophene-2-carboxylate 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

[(2S)-1-(tert-butylamino)-1-oxopropan-2-yl] 4,5-dibromothiophene-2-carboxylate
CID 8937877
[(2R)-1-oxo-1-(prop-2-enylamino)propan-2-yl] 4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxylate
CID 8943218
[1-oxo-1-(prop-2-enylamino)propan-2-yl] 2-bromo-4-fluorobenzoate
CID 18092138
[1-(2-fluoroanilino)-1-oxopropan-2-yl] 4,5-dibromothiophene-2-carboxylate
CID 46795125
[1-oxo-1-(prop-2-enylamino)propan-2-yl] 1,3-benzothiazole-6-carboxylate
CID 18091054
[(2S)-1-oxo-1-(prop-2-enylamino)propan-2-yl] 3,4,5-triethoxybenzoate
CID 51907878
[1-[(2-chloro-3-pyridinyl)amino]-1-oxopropan-2-yl] 4,5-dibromothiophene-2-carboxylate
CID 55420320
2-(2,6-dibromo-4-formylphenoxy)-N-prop-2-enylpropanamide
CID 107738304
2-methoxy-N-prop-2-enylpropanamide
CID 100983783
[1-oxo-1-(prop-2-enylamino)propan-2-yl] 1,3,5-trimethylpyrazole-4-carboxylate
CID 43037192
[(2S)-1-oxo-1-(prop-2-enylamino)propan-2-yl] 2-methoxy-5-sulfamoylbenzoate
CID 8985614
[(2S)-1-oxo-1-(prop-2-enylamino)propan-2-yl] 4-(prop-2-enylsulfamoyl)benzoate
CID 8954994

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-oxo-1-(prop-2-enylamino)propan-2-yl] 4,5-dibromothiophene-2-carboxylate?
The IUPAC name of [(2R)-1-oxo-1-(prop-2-enylamino)propan-2-yl] 4,5-dibromothiophene-2-carboxylate (CID 8937896) is [(2R)-1-oxo-1-(prop-2-enylamino)propan-2-yl] 4,5-dibromothiophene-2-carboxylate.
What is the SMILES notation for [(2R)-1-oxo-1-(prop-2-enylamino)propan-2-yl] 4,5-dibromothiophene-2-carboxylate?
The canonical SMILES for [(2R)-1-oxo-1-(prop-2-enylamino)propan-2-yl] 4,5-dibromothiophene-2-carboxylate is C=CCNC(=O)[C@@H](C)OC(=O)c1cc(Br)c(Br)s1.
What is the InChIKey of [(2R)-1-oxo-1-(prop-2-enylamino)propan-2-yl] 4,5-dibromothiophene-2-carboxylate?
The InChIKey is YVQZEHOFDKHONR-ZCFIWIBFSA-N. The full InChI is InChI=1S/C11H11Br2NO3S/c1-3-4-14-10(15)6(2)17-11(16)8-5-7(12)9(13)18-8/h3,5-6H,1,4H2,2H3,(H,14,15)/t6-/m1/s1.
What are the key properties of [(2R)-1-oxo-1-(prop-2-enylamino)propan-2-yl] 4,5-dibromothiophene-2-carboxylate?
[(2R)-1-oxo-1-(prop-2-enylamino)propan-2-yl] 4,5-dibromothiophene-2-carboxylate has a molecular weight of 397.09 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-oxo-1-(prop-2-enylamino)propan-2-yl] 4,5-dibromothiophene-2-carboxylate is sourced from PubChem (CID 8937896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).