trans-(2R,3R)-1-bromo-2,3-dimethylcyclopropane-1-carboxylic acid

C6H9BrO2 — CID 155973326

IUPACtrans-(2R,3R)-1-bromo-2,3-dimethylcyclopropane-1-carboxylic acid
SMILESC[C@@H]1[C@@H](C)C1(Br)C(=O)O
InChIInChI=1S/C6H9BrO2/c1-3-4(2)6(3,7)5(8)9/h3-4H,1-2H3,(H,8,9)/t3-,4-/m1/s1
InChIKeyNSNQAZFCJXFXHY-QWWZWVQMSA-N
MW193.04 g/mol
LogP1.49
Rot. Bonds1

About trans-(2R,3R)-1-bromo-2,3-dimethylcyclopropane-1-carboxylic acid

trans-(2R,3R)-1-bromo-2,3-dimethylcyclopropane-1-carboxylic acid (PubChem CID 155973326) has the molecular formula C6H9BrO2 and a molecular weight of 193.04 g/mol. Its IUPAC name is trans-(2R,3R)-1-bromo-2,3-dimethylcyclopropane-1-carboxylic acid.

Molecular Properties

Compound Nametrans-(2R,3R)-1-bromo-2,3-dimethylcyclopropane-1-carboxylic acid
PubChem CID155973326
Molecular FormulaC6H9BrO2
Molecular Weight193.04 g/mol
Exact Mass191.98
IUPAC Nametrans-(2R,3R)-1-bromo-2,3-dimethylcyclopropane-1-carboxylic acid
SMILESC[C@@H]1[C@@H](C)C1(Br)C(=O)O
InChIInChI=1S/C6H9BrO2/c1-3-4(2)6(3,7)5(8)9/h3-4H,1-2H3,(H,8,9)/t3-,4-/m1/s1
InChIKeyNSNQAZFCJXFXHY-QWWZWVQMSA-N
XLogP1.49
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.04
LogP ≤ 51.49
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

1,2,3,4-tetramethylcyclobutane-1,2-dicarboxylic acid
CID 130020433
1-bromo-4-methylcyclohexane-1-carboxylic acid
CID 139659784
cis-(1R,3R)-2,2,3-trimethylcyclopropane-1-carboxylic acid
CID 55301010
trans-(1S,3R)-2,2,3-trimethylcyclopropane-1-carboxylic acid
CID 70465845
(1R)-1,2-dimethylcyclopropane-1-carboxylic acid
CID 69400955
(1R,2S,3S)-1-chloro-3-methylcyclopropane-1,2-dicarboxylic acid
CID 131185774
trans-(1R,2R)-2-bromo-1-methylcyclopropane-1-carboxylic acid
CID 6355513
1,2-dimethylcyclobutane-1,3-dicarboxylic acid
CID 155059571
1-hydroxy-2,5-dimethylcyclopentane-1-carboxylic acid
CID 83905293
2-fluoro-3-methyloxirane-2-carboxylic acid
CID 151667742
5,6,7-trimethyltricyclo[4.1.1.02,4]octane-2-carboxylic acid
CID 163848454
4-bromo-2-methylcubane-1-carboxylic acid
CID 67061702

Frequently Asked Questions

What is the IUPAC name of trans-(2R,3R)-1-bromo-2,3-dimethylcyclopropane-1-carboxylic acid?
The IUPAC name of trans-(2R,3R)-1-bromo-2,3-dimethylcyclopropane-1-carboxylic acid (CID 155973326) is trans-(2R,3R)-1-bromo-2,3-dimethylcyclopropane-1-carboxylic acid.
What is the SMILES notation for trans-(2R,3R)-1-bromo-2,3-dimethylcyclopropane-1-carboxylic acid?
The canonical SMILES for trans-(2R,3R)-1-bromo-2,3-dimethylcyclopropane-1-carboxylic acid is C[C@@H]1[C@@H](C)C1(Br)C(=O)O.
What is the InChIKey of trans-(2R,3R)-1-bromo-2,3-dimethylcyclopropane-1-carboxylic acid?
The InChIKey is NSNQAZFCJXFXHY-QWWZWVQMSA-N. The full InChI is InChI=1S/C6H9BrO2/c1-3-4(2)6(3,7)5(8)9/h3-4H,1-2H3,(H,8,9)/t3-,4-/m1/s1.
What are the key properties of trans-(2R,3R)-1-bromo-2,3-dimethylcyclopropane-1-carboxylic acid?
trans-(2R,3R)-1-bromo-2,3-dimethylcyclopropane-1-carboxylic acid has a molecular weight of 193.04 g/mol, XLogP of 1.49, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(2R,3R)-1-bromo-2,3-dimethylcyclopropane-1-carboxylic acid is sourced from PubChem (CID 155973326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).