3-(2,2-dichlorocyclopropyl)propanoic acid

C6H8Cl2O2 — CID 122163708

IUPAC3-(2,2-dichlorocyclopropyl)propanoic acid
SMILESO=C(O)CCC1CC1(Cl)Cl
InChIInChI=1S/C6H8Cl2O2/c7-6(8)3-4(6)1-2-5(9)10/h4H,1-3H2,(H,9,10)
InChIKeyAQFCAHAVXIEJEV-UHFFFAOYSA-N
MW183.03 g/mol
LogP2.05
Rot. Bonds3

About 3-(2,2-dichlorocyclopropyl)propanoic acid

3-(2,2-dichlorocyclopropyl)propanoic acid (PubChem CID 122163708) has the molecular formula C6H8Cl2O2 and a molecular weight of 183.03 g/mol. Its IUPAC name is 3-(2,2-dichlorocyclopropyl)propanoic acid.

Molecular Properties

Compound Name3-(2,2-dichlorocyclopropyl)propanoic acid
PubChem CID122163708
Molecular FormulaC6H8Cl2O2
Molecular Weight183.03 g/mol
Exact Mass181.99
IUPAC Name3-(2,2-dichlorocyclopropyl)propanoic acid
SMILESO=C(O)CCC1CC1(Cl)Cl
InChIInChI=1S/C6H8Cl2O2/c7-6(8)3-4(6)1-2-5(9)10/h4H,1-3H2,(H,9,10)
InChIKeyAQFCAHAVXIEJEV-UHFFFAOYSA-N
XLogP2.05
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.03
LogP ≤ 52.05
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

2-[(1R)-2,2-dichlorocyclopropyl]acetic acid
CID 99811196
3-[(1S,3S)-3-amino-2,2-dimethylcyclobutyl]propanoic acid
CID 124656122
3-[(1R,3R)-3-amino-2,2-dimethylcyclobutyl]propanoic acid
CID 124656123
3-(3-amino-2,2-dimethylcyclobutyl)propanoic acid
CID 73094410
3-(6-methyl-6-azaspiro[2.5]octan-2-yl)propanoic acid
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3-[4-(2-carboxyethyl)cyclohexyl]propanoic acid
CID 18679127
3-[(1R,3R)-3-acetyl-2,2-dimethylcyclobutyl]propanoic acid
CID 40551373
15-(2,2-dichlorocyclohexyl)pentadecanoic acid
CID 54179254
N-benzyl-4-[(1S)-2,2-dichlorocyclopropyl]butanamide
CID 7241797
3-(3,3-difluoropiperidin-4-yl)propanoic acid
CID 105446725
(2,2-dichlorocyclopropyl)methyl carbamate
CID 141209953
carbonic acid;1,1-dichloro-2-methylcyclopropane
CID 68873513

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dichlorocyclopropyl)propanoic acid?
The IUPAC name of 3-(2,2-dichlorocyclopropyl)propanoic acid (CID 122163708) is 3-(2,2-dichlorocyclopropyl)propanoic acid.
What is the SMILES notation for 3-(2,2-dichlorocyclopropyl)propanoic acid?
The canonical SMILES for 3-(2,2-dichlorocyclopropyl)propanoic acid is O=C(O)CCC1CC1(Cl)Cl.
What is the InChIKey of 3-(2,2-dichlorocyclopropyl)propanoic acid?
The InChIKey is AQFCAHAVXIEJEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8Cl2O2/c7-6(8)3-4(6)1-2-5(9)10/h4H,1-3H2,(H,9,10).
What are the key properties of 3-(2,2-dichlorocyclopropyl)propanoic acid?
3-(2,2-dichlorocyclopropyl)propanoic acid has a molecular weight of 183.03 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dichlorocyclopropyl)propanoic acid is sourced from PubChem (CID 122163708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).