3-(2-bromocyclopropyl)propanoic acid

C6H9BrO2 — CID 150783249

IUPAC3-(2-bromocyclopropyl)propanoic acid
SMILESO=C(O)CCC1CC1Br
InChIInChI=1S/C6H9BrO2/c7-5-3-4(5)1-2-6(8)9/h4-5H,1-3H2,(H,8,9)
InChIKeyKCIBOJRWRRWWJQ-UHFFFAOYSA-N
MW193.04 g/mol
LogP1.63
Rot. Bonds3

About 3-(2-bromocyclopropyl)propanoic acid

3-(2-bromocyclopropyl)propanoic acid (PubChem CID 150783249) has the molecular formula C6H9BrO2 and a molecular weight of 193.04 g/mol. Its IUPAC name is 3-(2-bromocyclopropyl)propanoic acid.

Molecular Properties

Compound Name3-(2-bromocyclopropyl)propanoic acid
PubChem CID150783249
Molecular FormulaC6H9BrO2
Molecular Weight193.04 g/mol
Exact Mass191.98
IUPAC Name3-(2-bromocyclopropyl)propanoic acid
SMILESO=C(O)CCC1CC1Br
InChIInChI=1S/C6H9BrO2/c7-5-3-4(5)1-2-6(8)9/h4-5H,1-3H2,(H,8,9)
InChIKeyKCIBOJRWRRWWJQ-UHFFFAOYSA-N
XLogP1.63
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.04
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-(2-bromocyclopropyl)propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-bromocyclopropyl)acetic acid
CID 12943906
3-(2-bicyclo[2.1.1]hexanyl)propanoic acid
CID 105430076
3-[(1R,2S)-2-phenylcyclopropyl]propanoic acid
CID 124603501
3-(2-heptylcyclopropyl)propanoic acid
CID 75293982
3-[2-(carboxymethyl)cyclopentyl]propanoic acid
CID 13359518
3-[4-(2-carboxyethyl)cyclohexyl]propanoic acid
CID 18679127
3-(3-aminocyclobutyl)propanoic acid
CID 136574712
8-(2-carboxyethyl)bicyclo[3.2.1]octane-3-carboxylic acid
CID 115035570
3-(4-amino-1-methylpyrrolidin-3-yl)propanoic acid
CID 105435135
trans-(3R,4R)-3,4-dibromocyclopentane-1-carboxylic acid
CID 737099
3-[(3R,4R)-3-methylpiperidin-4-yl]propanoic acid
CID 125181118
3-(2-propan-2-ylcyclohexyl)propanoic acid
CID 84733624

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromocyclopropyl)propanoic acid?
The IUPAC name of 3-(2-bromocyclopropyl)propanoic acid (CID 150783249) is 3-(2-bromocyclopropyl)propanoic acid.
What is the SMILES notation for 3-(2-bromocyclopropyl)propanoic acid?
The canonical SMILES for 3-(2-bromocyclopropyl)propanoic acid is O=C(O)CCC1CC1Br.
What is the InChIKey of 3-(2-bromocyclopropyl)propanoic acid?
The InChIKey is KCIBOJRWRRWWJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9BrO2/c7-5-3-4(5)1-2-6(8)9/h4-5H,1-3H2,(H,8,9).
What are the key properties of 3-(2-bromocyclopropyl)propanoic acid?
3-(2-bromocyclopropyl)propanoic acid has a molecular weight of 193.04 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromocyclopropyl)propanoic acid is sourced from PubChem (CID 150783249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).