methyl (2S)-2-[(5-bromofuran-2-carbonyl)amino]propanoate

C9H10BrNO4 — CID 47337332

IUPACmethyl (2S)-2-[(5-bromofuran-2-carbonyl)amino]propanoate
SMILESCOC(=O)[C@H](C)NC(=O)c1ccc(Br)o1
InChIInChI=1S/C9H10BrNO4/c1-5(9(13)14-2)11-8(12)6-3-4-7(10)15-6/h3-5H,1-2H3,(H,11,12)/t5-/m0/s1
InChIKeyWYYSSQWFZXFZKV-YFKPBYRVSA-N
MW276.09 g/mol
LogP1.33
Rot. Bonds3

About methyl (2S)-2-[(5-bromofuran-2-carbonyl)amino]propanoate

methyl (2S)-2-[(5-bromofuran-2-carbonyl)amino]propanoate (PubChem CID 47337332) has the molecular formula C9H10BrNO4 and a molecular weight of 276.09 g/mol. Its IUPAC name is methyl (2S)-2-[(5-bromofuran-2-carbonyl)amino]propanoate.

Molecular Properties

Compound Namemethyl (2S)-2-[(5-bromofuran-2-carbonyl)amino]propanoate
PubChem CID47337332
Molecular FormulaC9H10BrNO4
Molecular Weight276.09 g/mol
Exact Mass274.98
IUPAC Namemethyl (2S)-2-[(5-bromofuran-2-carbonyl)amino]propanoate
SMILESCOC(=O)[C@H](C)NC(=O)c1ccc(Br)o1
InChIInChI=1S/C9H10BrNO4/c1-5(9(13)14-2)11-8(12)6-3-4-7(10)15-6/h3-5H,1-2H3,(H,11,12)/t5-/m0/s1
InChIKeyWYYSSQWFZXFZKV-YFKPBYRVSA-N
XLogP1.33
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.09
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-[(2R)-1-[[(2R)-butan-2-yl]amino]-1-oxopropan-2-yl]furan-2-carboxamide
CID 94216568
3-[(5-bromofuran-2-carbonyl)amino]butanoic acid
CID 43240633
5-bromo-N-(5-methylhexan-2-yl)furan-2-carboxamide
CID 55028916
5-bromo-N-(1-cyanoethyl)furan-2-carboxamide
CID 61119457
5-bromo-N-(4-hydroxybutan-2-yl)furan-2-carboxamide
CID 81049675
5-bromo-N-[(2R)-2-[(5-bromofuran-2-carbonyl)amino]propyl]furan-2-carboxamide
CID 2292970
5-bromo-N-(1-bromo-3-methylbutan-2-yl)furan-2-carboxamide
CID 114316037
5-bromo-N-(1-cyclopropylethyl)furan-2-carboxamide
CID 60668708
5-bromo-N-(1-ethoxypropan-2-yl)furan-2-carboxamide
CID 47903591
5-bromo-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]furan-2-carboxamide
CID 8003959
methyl 2-[[2-[(5-bromofuran-2-carbonyl)amino]acetyl]amino]-3-hydroxypropanoate
CID 43406149
methyl (2S)-2-[1-(5-bromofuran-2-yl)ethylamino]propanoate
CID 104652541

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[(5-bromofuran-2-carbonyl)amino]propanoate?
The IUPAC name of methyl (2S)-2-[(5-bromofuran-2-carbonyl)amino]propanoate (CID 47337332) is methyl (2S)-2-[(5-bromofuran-2-carbonyl)amino]propanoate.
What is the SMILES notation for methyl (2S)-2-[(5-bromofuran-2-carbonyl)amino]propanoate?
The canonical SMILES for methyl (2S)-2-[(5-bromofuran-2-carbonyl)amino]propanoate is COC(=O)[C@H](C)NC(=O)c1ccc(Br)o1.
What is the InChIKey of methyl (2S)-2-[(5-bromofuran-2-carbonyl)amino]propanoate?
The InChIKey is WYYSSQWFZXFZKV-YFKPBYRVSA-N. The full InChI is InChI=1S/C9H10BrNO4/c1-5(9(13)14-2)11-8(12)6-3-4-7(10)15-6/h3-5H,1-2H3,(H,11,12)/t5-/m0/s1.
What are the key properties of methyl (2S)-2-[(5-bromofuran-2-carbonyl)amino]propanoate?
methyl (2S)-2-[(5-bromofuran-2-carbonyl)amino]propanoate has a molecular weight of 276.09 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-[(5-bromofuran-2-carbonyl)amino]propanoate is sourced from PubChem (CID 47337332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).