2-[(5-bromothiophen-3-yl)methylcarbamoyl]cyclobutane-1-carboxylic acid

C11H12BrNO3S — CID 120975664

IUPAC2-[(5-bromothiophen-3-yl)methylcarbamoyl]cyclobutane-1-carboxylic acid
SMILESO=C(O)C1CCC1C(=O)NCc1csc(Br)c1
InChIInChI=1S/C11H12BrNO3S/c12-9-3-6(5-17-9)4-13-10(14)7-1-2-8(7)11(15)16/h3,5,7-8H,1-2,4H2,(H,13,14)(H,15,16)
InChIKeyWWWSIDVGMCSALA-UHFFFAOYSA-N
MW318.19 g/mol
LogP2.24
Rot. Bonds4

About 2-[(5-bromothiophen-3-yl)methylcarbamoyl]cyclobutane-1-carboxylic acid

2-[(5-bromothiophen-3-yl)methylcarbamoyl]cyclobutane-1-carboxylic acid (PubChem CID 120975664) has the molecular formula C11H12BrNO3S and a molecular weight of 318.19 g/mol. Its IUPAC name is 2-[(5-bromothiophen-3-yl)methylcarbamoyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(5-bromothiophen-3-yl)methylcarbamoyl]cyclobutane-1-carboxylic acid
PubChem CID120975664
Molecular FormulaC11H12BrNO3S
Molecular Weight318.19 g/mol
Exact Mass316.97
IUPAC Name2-[(5-bromothiophen-3-yl)methylcarbamoyl]cyclobutane-1-carboxylic acid
SMILESO=C(O)C1CCC1C(=O)NCc1csc(Br)c1
InChIInChI=1S/C11H12BrNO3S/c12-9-3-6(5-17-9)4-13-10(14)7-1-2-8(7)11(15)16/h3,5,7-8H,1-2,4H2,(H,13,14)(H,15,16)
InChIKeyWWWSIDVGMCSALA-UHFFFAOYSA-N
XLogP2.24
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 ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-bromothiophen-2-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 103978822
cis-(1S,2R)-2-[(4-bromothiophen-2-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 114092399
2-[(2,6-dimethyl-4-pyridinyl)methylcarbamoyl]cyclobutane-1-carboxylic acid
CID 122101524
4-[[(5-bromothiophen-3-yl)methylamino]methyl]cyclohexane-1-carboxylic acid
CID 79531721
N-[(5-bromothiophen-3-yl)methyl]-2-methylpropanamide
CID 131134392
2-[(4-bromo-2-chlorophenyl)methylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120976837
2-[[4-(4-fluorophenyl)sulfanylphenyl]methylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120977365
2-[(4-chloro-3-methylphenyl)methylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120977329
1-[(5-bromothiophen-3-yl)methyl]-3-[(3R)-2-oxoazepan-3-yl]urea
CID 94058453
2-[[4-(dimethylcarbamoyl)phenyl]methylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120974686
N-[(5-bromothiophen-3-yl)methyl]-2-methylmorpholine-4-carboxamide
CID 47253703
N-[(5-bromothiophen-3-yl)methyl]hydroxylamine
CID 82686785

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromothiophen-3-yl)methylcarbamoyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 2-[(5-bromothiophen-3-yl)methylcarbamoyl]cyclobutane-1-carboxylic acid (CID 120975664) is 2-[(5-bromothiophen-3-yl)methylcarbamoyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 2-[(5-bromothiophen-3-yl)methylcarbamoyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 2-[(5-bromothiophen-3-yl)methylcarbamoyl]cyclobutane-1-carboxylic acid is O=C(O)C1CCC1C(=O)NCc1csc(Br)c1.
What is the InChIKey of 2-[(5-bromothiophen-3-yl)methylcarbamoyl]cyclobutane-1-carboxylic acid?
The InChIKey is WWWSIDVGMCSALA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrNO3S/c12-9-3-6(5-17-9)4-13-10(14)7-1-2-8(7)11(15)16/h3,5,7-8H,1-2,4H2,(H,13,14)(H,15,16).
What are the key properties of 2-[(5-bromothiophen-3-yl)methylcarbamoyl]cyclobutane-1-carboxylic acid?
2-[(5-bromothiophen-3-yl)methylcarbamoyl]cyclobutane-1-carboxylic acid has a molecular weight of 318.19 g/mol, XLogP of 2.24, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromothiophen-3-yl)methylcarbamoyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 120975664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).