methyl (2R)-2-(2-bromo-4-oxo-6H-thieno[2,3-c]pyrrol-5-yl)propanoate

C10H10BrNO3S — CID 156693725

IUPACmethyl (2R)-2-(2-bromo-4-oxo-6H-thieno[2,3-c]pyrrol-5-yl)propanoate
SMILESCOC(=O)[C@@H](C)N1Cc2sc(Br)cc2C1=O
InChIInChI=1S/C10H10BrNO3S/c1-5(10(14)15-2)12-4-7-6(9(12)13)3-8(11)16-7/h3,5H,4H2,1-2H3/t5-/m1/s1
InChIKeyJKILWXCBUNSRRF-RXMQYKEDSA-N
MW304.17 g/mol
LogP2.03
Rot. Bonds2

About methyl (2R)-2-(2-bromo-4-oxo-6H-thieno[2,3-c]pyrrol-5-yl)propanoate

methyl (2R)-2-(2-bromo-4-oxo-6H-thieno[2,3-c]pyrrol-5-yl)propanoate (PubChem CID 156693725) has the molecular formula C10H10BrNO3S and a molecular weight of 304.17 g/mol. Its IUPAC name is methyl (2R)-2-(2-bromo-4-oxo-6H-thieno[2,3-c]pyrrol-5-yl)propanoate.

Molecular Properties

Compound Namemethyl (2R)-2-(2-bromo-4-oxo-6H-thieno[2,3-c]pyrrol-5-yl)propanoate
PubChem CID156693725
Molecular FormulaC10H10BrNO3S
Molecular Weight304.17 g/mol
Exact Mass302.96
IUPAC Namemethyl (2R)-2-(2-bromo-4-oxo-6H-thieno[2,3-c]pyrrol-5-yl)propanoate
SMILESCOC(=O)[C@@H](C)N1Cc2sc(Br)cc2C1=O
InChIInChI=1S/C10H10BrNO3S/c1-5(10(14)15-2)12-4-7-6(9(12)13)3-8(11)16-7/h3,5H,4H2,1-2H3/t5-/m1/s1
InChIKeyJKILWXCBUNSRRF-RXMQYKEDSA-N
XLogP2.03
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.17
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl (2R)-2-(2-bromo-4-oxo-6H-thieno[2,3-c]pyrrol-5-yl)propanoate
CID 156693719
2-(2-bromo-4-oxo-6H-thieno[2,3-c]pyrrol-5-yl)-2-[5-fluoro-2-(methoxymethoxy)phenyl]acetic acid
CID 166885530
methyl 2-(2-bromo-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-hydroxybutanoate
CID 167980859
2-bromo-6,7-dimethyl-7,8-dihydro-5H-thieno[2,3-d]azepin-4-one
CID 82378881
dimethyl (2S)-2-(4-oxo-6H-thieno[2,3-c]pyrrol-5-yl)pentanedioate
CID 10685411
methyl 2-(2-oxoimidazolidin-1-yl)propanoate
CID 115370601
methyl 2-(6-bromo-3-oxo-1H-isoindol-2-yl)-3-phenylpropanoate
CID 123192401
methyl (2R)-2-[(2R)-2-(3-chlorophenyl)-5-oxomorpholin-4-yl]propanoate
CID 139647185
methyl 2-(5-bromo-1,3-dioxoisoindol-2-yl)-3-methylbutanoate
CID 67305870
methyl 1-(1-methoxy-1-oxopropan-2-yl)-2-oxopyridine-4-carboxylate
CID 46868567
methyl (2R)-2-(4-chloro-6-oxopyridazin-1-yl)propanoate
CID 162727519
methyl 2-[(5-bromothiophene-3-carbonyl)amino]propanoate
CID 60735474

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-(2-bromo-4-oxo-6H-thieno[2,3-c]pyrrol-5-yl)propanoate?
The IUPAC name of methyl (2R)-2-(2-bromo-4-oxo-6H-thieno[2,3-c]pyrrol-5-yl)propanoate (CID 156693725) is methyl (2R)-2-(2-bromo-4-oxo-6H-thieno[2,3-c]pyrrol-5-yl)propanoate.
What is the SMILES notation for methyl (2R)-2-(2-bromo-4-oxo-6H-thieno[2,3-c]pyrrol-5-yl)propanoate?
The canonical SMILES for methyl (2R)-2-(2-bromo-4-oxo-6H-thieno[2,3-c]pyrrol-5-yl)propanoate is COC(=O)[C@@H](C)N1Cc2sc(Br)cc2C1=O.
What is the InChIKey of methyl (2R)-2-(2-bromo-4-oxo-6H-thieno[2,3-c]pyrrol-5-yl)propanoate?
The InChIKey is JKILWXCBUNSRRF-RXMQYKEDSA-N. The full InChI is InChI=1S/C10H10BrNO3S/c1-5(10(14)15-2)12-4-7-6(9(12)13)3-8(11)16-7/h3,5H,4H2,1-2H3/t5-/m1/s1.
What are the key properties of methyl (2R)-2-(2-bromo-4-oxo-6H-thieno[2,3-c]pyrrol-5-yl)propanoate?
methyl (2R)-2-(2-bromo-4-oxo-6H-thieno[2,3-c]pyrrol-5-yl)propanoate has a molecular weight of 304.17 g/mol, XLogP of 2.03, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-(2-bromo-4-oxo-6H-thieno[2,3-c]pyrrol-5-yl)propanoate is sourced from PubChem (CID 156693725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).