2-[(5-bromothiophen-2-yl)methyl-methylamino]cyclopropane-1-carboxylic acid

C10H12BrNO2S — CID 117042686

IUPAC2-[(5-bromothiophen-2-yl)methyl-methylamino]cyclopropane-1-carboxylic acid
SMILESCN(Cc1ccc(Br)s1)C1CC1C(=O)O
InChIInChI=1S/C10H12BrNO2S/c1-12(8-4-7(8)10(13)14)5-6-2-3-9(11)15-6/h2-3,7-8H,4-5H2,1H3,(H,13,14)
InChIKeyRWJZSBAWXFYFCM-UHFFFAOYSA-N
MW290.18 g/mol
LogP2.42
Rot. Bonds4

About 2-[(5-bromothiophen-2-yl)methyl-methylamino]cyclopropane-1-carboxylic acid

2-[(5-bromothiophen-2-yl)methyl-methylamino]cyclopropane-1-carboxylic acid (PubChem CID 117042686) has the molecular formula C10H12BrNO2S and a molecular weight of 290.18 g/mol. Its IUPAC name is 2-[(5-bromothiophen-2-yl)methyl-methylamino]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(5-bromothiophen-2-yl)methyl-methylamino]cyclopropane-1-carboxylic acid
PubChem CID117042686
Molecular FormulaC10H12BrNO2S
Molecular Weight290.18 g/mol
Exact Mass288.98
IUPAC Name2-[(5-bromothiophen-2-yl)methyl-methylamino]cyclopropane-1-carboxylic acid
SMILESCN(Cc1ccc(Br)s1)C1CC1C(=O)O
InChIInChI=1S/C10H12BrNO2S/c1-12(8-4-7(8)10(13)14)5-6-2-3-9(11)15-6/h2-3,7-8H,4-5H2,1H3,(H,13,14)
InChIKeyRWJZSBAWXFYFCM-UHFFFAOYSA-N
XLogP2.42
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.18
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(5-bromothiophen-2-yl)methyl-methylamino]oxolane-3-carboxylic acid
CID 66238008
2-[(5-chlorothiophen-2-yl)methyl-methylamino]cyclopropane-1-carboxylic acid
CID 117042685
cis-(1S,2R)-2-[(5-bromothiophen-2-yl)methyl-ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 93377066
2-[(5-bromothiophen-2-yl)methyl]cyclopropane-1-carboxylic acid
CID 116927002
N-[(5-bromothiophen-2-yl)methyl]-N-methylcarbamoyl chloride
CID 115194760
2-[methyl-[(4-methylphenyl)methyl]amino]cyclopropane-1-carboxylic acid
CID 117042658
2-N-[(5-bromothiophen-2-yl)methyl]-2-N-methylcyclohexane-1,2-diamine
CID 115118036
4-[(5-ethylthiophen-2-yl)methyl-methylamino]oxolane-3-carboxylic acid
CID 66237650
2-[(4-fluorophenyl)methyl-methylamino]cyclopropane-1-carboxylic acid
CID 117042665
2-[(5-bromothiophen-2-yl)methyl-methylamino]propanoic acid
CID 62638904
4-[4-(5-bromothiophen-2-yl)butanoyl-methylamino]oxolane-3-carboxylic acid
CID 66235528
N-[(5-bromothiophen-2-yl)methyl]-2-(4-fluorophenyl)-N-methylcyclopropane-1-carboxamide
CID 51292110

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromothiophen-2-yl)methyl-methylamino]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[(5-bromothiophen-2-yl)methyl-methylamino]cyclopropane-1-carboxylic acid (CID 117042686) is 2-[(5-bromothiophen-2-yl)methyl-methylamino]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[(5-bromothiophen-2-yl)methyl-methylamino]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[(5-bromothiophen-2-yl)methyl-methylamino]cyclopropane-1-carboxylic acid is CN(Cc1ccc(Br)s1)C1CC1C(=O)O.
What is the InChIKey of 2-[(5-bromothiophen-2-yl)methyl-methylamino]cyclopropane-1-carboxylic acid?
The InChIKey is RWJZSBAWXFYFCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO2S/c1-12(8-4-7(8)10(13)14)5-6-2-3-9(11)15-6/h2-3,7-8H,4-5H2,1H3,(H,13,14).
What are the key properties of 2-[(5-bromothiophen-2-yl)methyl-methylamino]cyclopropane-1-carboxylic acid?
2-[(5-bromothiophen-2-yl)methyl-methylamino]cyclopropane-1-carboxylic acid has a molecular weight of 290.18 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromothiophen-2-yl)methyl-methylamino]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 117042686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).