2-[1-[(5-bromothiophene-2-carbonyl)amino]cyclobutyl]acetic acid

C11H12BrNO3S — CID 79846619

IUPAC2-[1-[(5-bromothiophene-2-carbonyl)amino]cyclobutyl]acetic acid
SMILESO=C(O)CC1(NC(=O)c2ccc(Br)s2)CCC1
InChIInChI=1S/C11H12BrNO3S/c12-8-3-2-7(17-8)10(16)13-11(4-1-5-11)6-9(14)15/h2-3H,1,4-6H2,(H,13,16)(H,14,15)
InChIKeyVSXCHSURNGYKGR-UHFFFAOYSA-N
MW318.19 g/mol
LogP2.64
Rot. Bonds4

About 2-[1-[(5-bromothiophene-2-carbonyl)amino]cyclobutyl]acetic acid

2-[1-[(5-bromothiophene-2-carbonyl)amino]cyclobutyl]acetic acid (PubChem CID 79846619) has the molecular formula C11H12BrNO3S and a molecular weight of 318.19 g/mol. Its IUPAC name is 2-[1-[(5-bromothiophene-2-carbonyl)amino]cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(5-bromothiophene-2-carbonyl)amino]cyclobutyl]acetic acid
PubChem CID79846619
Molecular FormulaC11H12BrNO3S
Molecular Weight318.19 g/mol
Exact Mass316.97
IUPAC Name2-[1-[(5-bromothiophene-2-carbonyl)amino]cyclobutyl]acetic acid
SMILESO=C(O)CC1(NC(=O)c2ccc(Br)s2)CCC1
InChIInChI=1S/C11H12BrNO3S/c12-8-3-2-7(17-8)10(16)13-11(4-1-5-11)6-9(14)15/h2-3H,1,4-6H2,(H,13,16)(H,14,15)
InChIKeyVSXCHSURNGYKGR-UHFFFAOYSA-N
XLogP2.64
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.19
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[(5-bromothiophen-2-yl)methylcarbamoylamino]cyclobutyl]acetic acid
CID 79852022
5-bromo-N-[1-(hydroxymethyl)-3-methylcyclohexyl]thiophene-2-carboxamide
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1-[(5-bromothiophene-2-carbonyl)amino]cycloheptane-1-carboxylic acid
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2-[1-[(3,5-dibromobenzoyl)amino]cyclobutyl]acetic acid
CID 114022529
2-[1-[(2,5-dibromobenzoyl)amino]cyclobutyl]acetic acid
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2-[1-[(4-chlorobenzoyl)amino]cyclobutyl]acetic acid
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5-bromo-N-(1-cyanocyclopentyl)thiophene-2-carboxamide
CID 55029231
2-[1-[(4-bromo-3-fluorobenzoyl)amino]cyclobutyl]acetic acid
CID 79845982
2-[1-[[2-[(5-methylthiophene-2-carbonyl)amino]acetyl]amino]cyclobutyl]acetic acid
CID 79844424
2-[1-[(4-bromo-2-chlorobenzoyl)amino]cyclobutyl]acetic acid
CID 79849405
2-[1-(1-benzothiophene-2-carbonylamino)cyclopentyl]acetic acid
CID 64673369
2-[1-[[4-(aminomethyl)benzoyl]amino]cyclobutyl]acetic acid
CID 79845339

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(5-bromothiophene-2-carbonyl)amino]cyclobutyl]acetic acid?
The IUPAC name of 2-[1-[(5-bromothiophene-2-carbonyl)amino]cyclobutyl]acetic acid (CID 79846619) is 2-[1-[(5-bromothiophene-2-carbonyl)amino]cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-[(5-bromothiophene-2-carbonyl)amino]cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-[(5-bromothiophene-2-carbonyl)amino]cyclobutyl]acetic acid is O=C(O)CC1(NC(=O)c2ccc(Br)s2)CCC1.
What is the InChIKey of 2-[1-[(5-bromothiophene-2-carbonyl)amino]cyclobutyl]acetic acid?
The InChIKey is VSXCHSURNGYKGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrNO3S/c12-8-3-2-7(17-8)10(16)13-11(4-1-5-11)6-9(14)15/h2-3H,1,4-6H2,(H,13,16)(H,14,15).
What are the key properties of 2-[1-[(5-bromothiophene-2-carbonyl)amino]cyclobutyl]acetic acid?
2-[1-[(5-bromothiophene-2-carbonyl)amino]cyclobutyl]acetic acid has a molecular weight of 318.19 g/mol, XLogP of 2.64, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(5-bromothiophene-2-carbonyl)amino]cyclobutyl]acetic acid is sourced from PubChem (CID 79846619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).