2-(2-bromo-N-methylanilino)cyclopropane-1-carboxylic acid

C11H12BrNO2 — CID 117042642

IUPAC2-(2-bromo-N-methylanilino)cyclopropane-1-carboxylic acid
SMILESCN(c1ccccc1Br)C1CC1C(=O)O
InChIInChI=1S/C11H12BrNO2/c1-13(10-6-7(10)11(14)15)9-5-3-2-4-8(9)12/h2-5,7,10H,6H2,1H3,(H,14,15)
InChIKeyNBCOWRUPYOULJE-UHFFFAOYSA-N
MW270.13 g/mol
LogP2.36
Rot. Bonds3

About 2-(2-bromo-N-methylanilino)cyclopropane-1-carboxylic acid

2-(2-bromo-N-methylanilino)cyclopropane-1-carboxylic acid (PubChem CID 117042642) has the molecular formula C11H12BrNO2 and a molecular weight of 270.13 g/mol. Its IUPAC name is 2-(2-bromo-N-methylanilino)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-(2-bromo-N-methylanilino)cyclopropane-1-carboxylic acid
PubChem CID117042642
Molecular FormulaC11H12BrNO2
Molecular Weight270.13 g/mol
Exact Mass269.01
IUPAC Name2-(2-bromo-N-methylanilino)cyclopropane-1-carboxylic acid
SMILESCN(c1ccccc1Br)C1CC1C(=O)O
InChIInChI=1S/C11H12BrNO2/c1-13(10-6-7(10)11(14)15)9-5-3-2-4-8(9)12/h2-5,7,10H,6H2,1H3,(H,14,15)
InChIKeyNBCOWRUPYOULJE-UHFFFAOYSA-N
XLogP2.36
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.13
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-fluoro-N-methylanilino)cyclopropane-1-carboxylic acid
CID 117042623
trans-(1S,2S)-2-[(2-bromophenyl)-methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 46930368
2-[methyl(pyridin-4-yl)amino]cyclopropane-1-carboxylic acid
CID 117042628
4-(3-bromo-2-carbamoyl-N-methylanilino)oxolane-3-carboxylic acid
CID 114880243
4-(3-bromo-2-cyano-N-methylanilino)oxolane-3-carboxylic acid
CID 114880244
2-[methyl(1H-pyrrol-3-yl)amino]cyclopropane-1-carboxylic acid
CID 117042576
2-(4-tert-butyl-N,2-dimethylanilino)cyclopropane-1-carboxylic acid
CID 117042600
4-(2-bromo-N-methylanilino)piperidine-1-carboxylic acid
CID 174643908
2-(N-methyl-4-propan-2-ylsulfanylanilino)cyclopropane-1-carboxylic acid
CID 117042598
4-[(2-bromophenyl)methyl-methylamino]oxolane-3-carboxylic acid
CID 66237808
(2-bromophenyl)-cyclopropylcarbamic acid
CID 174207463
2-[(5-bromothiophen-2-yl)methyl-methylamino]cyclopropane-1-carboxylic acid
CID 117042686

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-N-methylanilino)cyclopropane-1-carboxylic acid?
The IUPAC name of 2-(2-bromo-N-methylanilino)cyclopropane-1-carboxylic acid (CID 117042642) is 2-(2-bromo-N-methylanilino)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-(2-bromo-N-methylanilino)cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-(2-bromo-N-methylanilino)cyclopropane-1-carboxylic acid is CN(c1ccccc1Br)C1CC1C(=O)O.
What is the InChIKey of 2-(2-bromo-N-methylanilino)cyclopropane-1-carboxylic acid?
The InChIKey is NBCOWRUPYOULJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrNO2/c1-13(10-6-7(10)11(14)15)9-5-3-2-4-8(9)12/h2-5,7,10H,6H2,1H3,(H,14,15).
What are the key properties of 2-(2-bromo-N-methylanilino)cyclopropane-1-carboxylic acid?
2-(2-bromo-N-methylanilino)cyclopropane-1-carboxylic acid has a molecular weight of 270.13 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-N-methylanilino)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 117042642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).