5-[(5-bromothiophene-2-carbonyl)amino]-4-methylpentanoic acid

C11H14BrNO3S — CID 82010230

IUPAC5-[(5-bromothiophene-2-carbonyl)amino]-4-methylpentanoic acid
SMILESCC(CCC(=O)O)CNC(=O)c1ccc(Br)s1
InChIInChI=1S/C11H14BrNO3S/c1-7(2-5-10(14)15)6-13-11(16)8-3-4-9(12)17-8/h3-4,7H,2,5-6H2,1H3,(H,13,16)(H,14,15)
InChIKeyIVIWJYJIQCLTEV-UHFFFAOYSA-N
MW320.21 g/mol
LogP2.74
Rot. Bonds6

About 5-[(5-bromothiophene-2-carbonyl)amino]-4-methylpentanoic acid

5-[(5-bromothiophene-2-carbonyl)amino]-4-methylpentanoic acid (PubChem CID 82010230) has the molecular formula C11H14BrNO3S and a molecular weight of 320.21 g/mol. Its IUPAC name is 5-[(5-bromothiophene-2-carbonyl)amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name5-[(5-bromothiophene-2-carbonyl)amino]-4-methylpentanoic acid
PubChem CID82010230
Molecular FormulaC11H14BrNO3S
Molecular Weight320.21 g/mol
Exact Mass318.99
IUPAC Name5-[(5-bromothiophene-2-carbonyl)amino]-4-methylpentanoic acid
SMILESCC(CCC(=O)O)CNC(=O)c1ccc(Br)s1
InChIInChI=1S/C11H14BrNO3S/c1-7(2-5-10(14)15)6-13-11(16)8-3-4-9(12)17-8/h3-4,7H,2,5-6H2,1H3,(H,13,16)(H,14,15)
InChIKeyIVIWJYJIQCLTEV-UHFFFAOYSA-N
XLogP2.74
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.21
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(5-ethylthiophene-2-carbonyl)amino]-4-methylpentanoic acid
CID 82009173
5-bromo-N-(3-bromo-2-methylpropyl)thiophene-2-carboxamide
CID 114313311
5-bromo-N-(2-ethylbutyl)thiophene-2-carboxamide
CID 84545370
3-[(5-bromothiophene-2-carbonyl)amino]-2-hydroxypropanoic acid
CID 66167024
N-(3-amino-2-methyl-3-sulfanylidenepropyl)-5-bromothiophene-2-carboxamide
CID 62666717
N-(3-aminobutyl)-5-bromothiophene-2-carboxamide;hydrochloride
CID 119498604
5-bromo-N-(2-chloro-2-phenylethyl)thiophene-2-carboxamide
CID 114295719
5-[(3-bromobenzoyl)amino]-4-methylpentanoic acid
CID 82684044
5-bromo-N-(2-piperidin-1-ylpropyl)thiophene-2-carboxamide
CID 61073693
5-bromo-N-(3-methylsulfinylbutyl)thiophene-2-carboxamide
CID 115729394
5-[(4-bromo-3-hydroxybenzoyl)amino]-4-methylpentanoic acid
CID 114103351
5-[(6-bromopyridine-2-carbonyl)amino]-4-methylpentanoic acid
CID 114037558

Frequently Asked Questions

What is the IUPAC name of 5-[(5-bromothiophene-2-carbonyl)amino]-4-methylpentanoic acid?
The IUPAC name of 5-[(5-bromothiophene-2-carbonyl)amino]-4-methylpentanoic acid (CID 82010230) is 5-[(5-bromothiophene-2-carbonyl)amino]-4-methylpentanoic acid.
What is the SMILES notation for 5-[(5-bromothiophene-2-carbonyl)amino]-4-methylpentanoic acid?
The canonical SMILES for 5-[(5-bromothiophene-2-carbonyl)amino]-4-methylpentanoic acid is CC(CCC(=O)O)CNC(=O)c1ccc(Br)s1.
What is the InChIKey of 5-[(5-bromothiophene-2-carbonyl)amino]-4-methylpentanoic acid?
The InChIKey is IVIWJYJIQCLTEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO3S/c1-7(2-5-10(14)15)6-13-11(16)8-3-4-9(12)17-8/h3-4,7H,2,5-6H2,1H3,(H,13,16)(H,14,15).
What are the key properties of 5-[(5-bromothiophene-2-carbonyl)amino]-4-methylpentanoic acid?
5-[(5-bromothiophene-2-carbonyl)amino]-4-methylpentanoic acid has a molecular weight of 320.21 g/mol, XLogP of 2.74, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-bromothiophene-2-carbonyl)amino]-4-methylpentanoic acid is sourced from PubChem (CID 82010230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).