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

C11H14BrNO4 — CID 166201185

IUPAC2-[(5-bromofuran-2-carbonyl)amino]-2,3-dimethylbutanoic acid
SMILESCC(C)C(C)(NC(=O)c1ccc(Br)o1)C(=O)O
InChIInChI=1S/C11H14BrNO4/c1-6(2)11(3,10(15)16)13-9(14)7-4-5-8(12)17-7/h4-6H,1-3H3,(H,13,14)(H,15,16)
InChIKeyRJSMVNKNCYYEFF-UHFFFAOYSA-N
MW304.14 g/mol
LogP2.27
Rot. Bonds4

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

2-[(5-bromofuran-2-carbonyl)amino]-2,3-dimethylbutanoic acid (PubChem CID 166201185) has the molecular formula C11H14BrNO4 and a molecular weight of 304.14 g/mol. Its IUPAC name is 2-[(5-bromofuran-2-carbonyl)amino]-2,3-dimethylbutanoic acid.

Molecular Properties

Compound Name2-[(5-bromofuran-2-carbonyl)amino]-2,3-dimethylbutanoic acid
PubChem CID166201185
Molecular FormulaC11H14BrNO4
Molecular Weight304.14 g/mol
Exact Mass303.01
IUPAC Name2-[(5-bromofuran-2-carbonyl)amino]-2,3-dimethylbutanoic acid
SMILESCC(C)C(C)(NC(=O)c1ccc(Br)o1)C(=O)O
InChIInChI=1S/C11H14BrNO4/c1-6(2)11(3,10(15)16)13-9(14)7-4-5-8(12)17-7/h4-6H,1-3H3,(H,13,14)(H,15,16)
InChIKeyRJSMVNKNCYYEFF-UHFFFAOYSA-N
XLogP2.27
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.14
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-(1-chloro-2-methylpropan-2-yl)furan-2-carboxamide
CID 114294942
2-[[2-[(5-bromofuran-2-carbonyl)amino]acetyl]amino]-2-methylpropanoic acid
CID 61263565
5-bromo-N-[2-[(2-hydroxy-2,3-dimethylbutyl)amino]-2-oxoethyl]furan-2-carboxamide
CID 111483687
5-bromo-N-(2-methyl-4-phenylbutan-2-yl)furan-2-carboxamide
CID 115606453
3-[(5-bromofuran-2-carbonyl)amino]butanoic acid
CID 43240633
5-bromo-N-(2-methylpropylideneamino)furan-2-carboxamide
CID 4195211
5-bromo-N-[3-(bromomethyl)pentan-3-yl]furan-2-carboxamide
CID 114315141
5-bromo-N-(3-methyl-2-oxobutyl)furan-2-carboxamide
CID 64997202
3-[[2-[(5-bromofuran-2-carbonyl)amino]acetyl]amino]-2,2-dimethylpropanoic acid
CID 115427115
(2R)-2-[(5-bromofuran-2-carbonyl)amino]-4-methylpentanoic acid
CID 30077278
3-[[2-[(5-bromofuran-2-carbonyl)amino]acetyl]amino]-3-methylbutanoic acid
CID 64672081
5-bromo-N-(4-hydroxybutan-2-yl)furan-2-carboxamide
CID 81049675

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromofuran-2-carbonyl)amino]-2,3-dimethylbutanoic acid?
The IUPAC name of 2-[(5-bromofuran-2-carbonyl)amino]-2,3-dimethylbutanoic acid (CID 166201185) is 2-[(5-bromofuran-2-carbonyl)amino]-2,3-dimethylbutanoic acid.
What is the SMILES notation for 2-[(5-bromofuran-2-carbonyl)amino]-2,3-dimethylbutanoic acid?
The canonical SMILES for 2-[(5-bromofuran-2-carbonyl)amino]-2,3-dimethylbutanoic acid is CC(C)C(C)(NC(=O)c1ccc(Br)o1)C(=O)O.
What is the InChIKey of 2-[(5-bromofuran-2-carbonyl)amino]-2,3-dimethylbutanoic acid?
The InChIKey is RJSMVNKNCYYEFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO4/c1-6(2)11(3,10(15)16)13-9(14)7-4-5-8(12)17-7/h4-6H,1-3H3,(H,13,14)(H,15,16).
What are the key properties of 2-[(5-bromofuran-2-carbonyl)amino]-2,3-dimethylbutanoic acid?
2-[(5-bromofuran-2-carbonyl)amino]-2,3-dimethylbutanoic acid has a molecular weight of 304.14 g/mol, XLogP of 2.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromofuran-2-carbonyl)amino]-2,3-dimethylbutanoic acid is sourced from PubChem (CID 166201185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).