trans-(1R,2R)-2-bromo-1-methylcyclopropane-1-carboxylic acid

C5H7BrO2 — CID 6355513

IUPACtrans-(1R,2R)-2-bromo-1-methylcyclopropane-1-carboxylic acid
SMILESC[C@]1(C(=O)O)C[C@H]1Br
InChIInChI=1S/C5H7BrO2/c1-5(4(7)8)2-3(5)6/h3H,2H2,1H3,(H,7,8)/t3-,5+/m1/s1
InChIKeyAQAFCWJNUSCJIA-WUJLRWPWSA-N
MW179.01 g/mol
LogP1.24
Rot. Bonds1

About trans-(1R,2R)-2-bromo-1-methylcyclopropane-1-carboxylic acid

trans-(1R,2R)-2-bromo-1-methylcyclopropane-1-carboxylic acid (PubChem CID 6355513) has the molecular formula C5H7BrO2 and a molecular weight of 179.01 g/mol. Its IUPAC name is trans-(1R,2R)-2-bromo-1-methylcyclopropane-1-carboxylic acid.

Molecular Properties

Compound Nametrans-(1R,2R)-2-bromo-1-methylcyclopropane-1-carboxylic acid
PubChem CID6355513
Molecular FormulaC5H7BrO2
Molecular Weight179.01 g/mol
Exact Mass177.96
IUPAC Nametrans-(1R,2R)-2-bromo-1-methylcyclopropane-1-carboxylic acid
SMILESC[C@]1(C(=O)O)C[C@H]1Br
InChIInChI=1S/C5H7BrO2/c1-5(4(7)8)2-3(5)6/h3H,2H2,1H3,(H,7,8)/t3-,5+/m1/s1
InChIKeyAQAFCWJNUSCJIA-WUJLRWPWSA-N
XLogP1.24
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.01
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

(1R)-1,2-dimethylcyclopropane-1-carboxylic acid
CID 69400955
trans-(1R,2R)-2-fluoro-1-methylcyclopropane-1-carboxylic acid
CID 92980128
2-bromo-N,N,1-trimethylcyclopropane-1-carboxamide
CID 12537186
trans-(1R,2S)-2-cyclohexyl-1-methylcyclopropane-1-carboxylic acid
CID 178190756
1,2-dimethylcyclobutane-1,3-dicarboxylic acid
CID 155059571
(1R)-2-amino-1-methylcyclopentane-1-carboxylic acid
CID 129318014
trans-(1S,2R)-2-amino-1-methylcyclopentane-1-carboxylic acid
CID 55284582
2-hydroxy-1,3-dimethylcyclopentane-1-carboxylic acid
CID 130685696
(2-bromo-1-methylcyclopropyl)methanol
CID 12502936
7-methylbicyclo[2.2.1]heptane-7-carboxylic acid
CID 58749444
cis-(1R,2S)-1-amino-2-bromocyclopropane-1-carboxylic acid
CID 10329917
(2S)-2-amino-1-methylcyclohexane-1-carboxylic acid
CID 67285208

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-bromo-1-methylcyclopropane-1-carboxylic acid?
The IUPAC name of trans-(1R,2R)-2-bromo-1-methylcyclopropane-1-carboxylic acid (CID 6355513) is trans-(1R,2R)-2-bromo-1-methylcyclopropane-1-carboxylic acid.
What is the SMILES notation for trans-(1R,2R)-2-bromo-1-methylcyclopropane-1-carboxylic acid?
The canonical SMILES for trans-(1R,2R)-2-bromo-1-methylcyclopropane-1-carboxylic acid is C[C@]1(C(=O)O)C[C@H]1Br.
What is the InChIKey of trans-(1R,2R)-2-bromo-1-methylcyclopropane-1-carboxylic acid?
The InChIKey is AQAFCWJNUSCJIA-WUJLRWPWSA-N. The full InChI is InChI=1S/C5H7BrO2/c1-5(4(7)8)2-3(5)6/h3H,2H2,1H3,(H,7,8)/t3-,5+/m1/s1.
What are the key properties of trans-(1R,2R)-2-bromo-1-methylcyclopropane-1-carboxylic acid?
trans-(1R,2R)-2-bromo-1-methylcyclopropane-1-carboxylic acid has a molecular weight of 179.01 g/mol, XLogP of 1.24, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-bromo-1-methylcyclopropane-1-carboxylic acid is sourced from PubChem (CID 6355513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).