3-[(5-bromofuran-2-carbonyl)amino]butanoic acid

C9H10BrNO4 — CID 43240633

IUPAC3-[(5-bromofuran-2-carbonyl)amino]butanoic acid
SMILESCC(CC(=O)O)NC(=O)c1ccc(Br)o1
InChIInChI=1S/C9H10BrNO4/c1-5(4-8(12)13)11-9(14)6-2-3-7(10)15-6/h2-3,5H,4H2,1H3,(H,11,14)(H,12,13)
InChIKeyHWKNOZPRBYXSLY-UHFFFAOYSA-N
MW276.09 g/mol
LogP1.64
Rot. Bonds4

About 3-[(5-bromofuran-2-carbonyl)amino]butanoic acid

3-[(5-bromofuran-2-carbonyl)amino]butanoic acid (PubChem CID 43240633) has the molecular formula C9H10BrNO4 and a molecular weight of 276.09 g/mol. Its IUPAC name is 3-[(5-bromofuran-2-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name3-[(5-bromofuran-2-carbonyl)amino]butanoic acid
PubChem CID43240633
Molecular FormulaC9H10BrNO4
Molecular Weight276.09 g/mol
Exact Mass274.98
IUPAC Name3-[(5-bromofuran-2-carbonyl)amino]butanoic acid
SMILESCC(CC(=O)O)NC(=O)c1ccc(Br)o1
InChIInChI=1S/C9H10BrNO4/c1-5(4-8(12)13)11-9(14)6-2-3-7(10)15-6/h2-3,5H,4H2,1H3,(H,11,14)(H,12,13)
InChIKeyHWKNOZPRBYXSLY-UHFFFAOYSA-N
XLogP1.64
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.09
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-(5-methylhexan-2-yl)furan-2-carboxamide
CID 55028916
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-(4-methylsulfinylbutan-2-yl)furan-2-carboxamide
CID 115667810
5-bromo-N-(1-ethoxypropan-2-yl)furan-2-carboxamide
CID 47903591
(2R)-2-[(5-bromofuran-2-carbonyl)amino]-4-methylpentanoic acid
CID 30077278
5-bromo-N-(1-bromo-3-methylbutan-2-yl)furan-2-carboxamide
CID 114316037
5-bromo-N-[(2R)-1-[[(2R)-butan-2-yl]amino]-1-oxopropan-2-yl]furan-2-carboxamide
CID 94216568
5-bromo-N-[1-(2-methylphenyl)propan-2-yl]furan-2-carboxamide
CID 47296501
5-bromo-N-(3-methyl-2-oxobutyl)furan-2-carboxamide
CID 64997202
methyl (2S)-2-[(5-bromofuran-2-carbonyl)amino]propanoate
CID 47337332
5-bromo-N-(1-cyanoethyl)furan-2-carboxamide
CID 61119457

Frequently Asked Questions

What is the IUPAC name of 3-[(5-bromofuran-2-carbonyl)amino]butanoic acid?
The IUPAC name of 3-[(5-bromofuran-2-carbonyl)amino]butanoic acid (CID 43240633) is 3-[(5-bromofuran-2-carbonyl)amino]butanoic acid.
What is the SMILES notation for 3-[(5-bromofuran-2-carbonyl)amino]butanoic acid?
The canonical SMILES for 3-[(5-bromofuran-2-carbonyl)amino]butanoic acid is CC(CC(=O)O)NC(=O)c1ccc(Br)o1.
What is the InChIKey of 3-[(5-bromofuran-2-carbonyl)amino]butanoic acid?
The InChIKey is HWKNOZPRBYXSLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrNO4/c1-5(4-8(12)13)11-9(14)6-2-3-7(10)15-6/h2-3,5H,4H2,1H3,(H,11,14)(H,12,13).
What are the key properties of 3-[(5-bromofuran-2-carbonyl)amino]butanoic acid?
3-[(5-bromofuran-2-carbonyl)amino]butanoic acid has a molecular weight of 276.09 g/mol, XLogP of 1.64, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-bromofuran-2-carbonyl)amino]butanoic acid is sourced from PubChem (CID 43240633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).