2-[1-(chloromethyl)cyclopropyl]acetic acid

C6H9ClO2 — CID 55302932

IUPAC2-[1-(chloromethyl)cyclopropyl]acetic acid
SMILESO=C(O)CC1(CCl)CC1
InChIInChI=1S/C6H9ClO2/c7-4-6(1-2-6)3-5(8)9/h1-4H2,(H,8,9)
InChIKeyULELBSOPVIEHOH-UHFFFAOYSA-N
MW148.59 g/mol
LogP1.48
Rot. Bonds3

About 2-[1-(chloromethyl)cyclopropyl]acetic acid

2-[1-(chloromethyl)cyclopropyl]acetic acid (PubChem CID 55302932) has the molecular formula C6H9ClO2 and a molecular weight of 148.59 g/mol. Its IUPAC name is 2-[1-(chloromethyl)cyclopropyl]acetic acid.

Molecular Properties

Compound Name2-[1-(chloromethyl)cyclopropyl]acetic acid
PubChem CID55302932
Molecular FormulaC6H9ClO2
Molecular Weight148.59 g/mol
Exact Mass148.03
IUPAC Name2-[1-(chloromethyl)cyclopropyl]acetic acid
SMILESO=C(O)CC1(CCl)CC1
InChIInChI=1S/C6H9ClO2/c7-4-6(1-2-6)3-5(8)9/h1-4H2,(H,8,9)
InChIKeyULELBSOPVIEHOH-UHFFFAOYSA-N
XLogP1.48
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.59
LogP ≤ 51.48
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-(chloromethyl)cyclopropyl]methanol
CID 12920386
2-[1-(cyanomethylsulfonylmethyl)cyclopropyl]acetic acid
CID 65442523
2-[1-(aminomethyl)-4,4-dimethylcyclohexyl]acetic acid
CID 10776157
sodium 2-[1-(hydroxymethyl)cyclohexyl]acetic acid
CID 162368007
2-[1-(2,2,2-trifluoroethylsulfonylmethyl)cyclopropyl]acetic acid
CID 65441743
2-(1-dodecylcyclopropyl)acetic acid
CID 21495392
[1-(carboxymethyl)-4,4-dimethylcyclohexyl]methylazanium chloride
CID 10776156
2-[1-(2-ethylbutylsulfonylmethyl)cyclopropyl]acetic acid
CID 82927078
2-[1-(butylsulfonylmethyl)cyclopropyl]acetic acid
CID 65443307
2-[2-(chloromethyl)-1,3-dioxolan-2-yl]acetic acid
CID 19090067
2-[1-(2-methoxyethylsulfonylmethyl)cyclopropyl]acetic acid
CID 65443321
ethane;2-[1-(2-oxopropyl)cyclopentyl]acetic acid
CID 143530710

Frequently Asked Questions

What is the IUPAC name of 2-[1-(chloromethyl)cyclopropyl]acetic acid?
The IUPAC name of 2-[1-(chloromethyl)cyclopropyl]acetic acid (CID 55302932) is 2-[1-(chloromethyl)cyclopropyl]acetic acid.
What is the SMILES notation for 2-[1-(chloromethyl)cyclopropyl]acetic acid?
The canonical SMILES for 2-[1-(chloromethyl)cyclopropyl]acetic acid is O=C(O)CC1(CCl)CC1.
What is the InChIKey of 2-[1-(chloromethyl)cyclopropyl]acetic acid?
The InChIKey is ULELBSOPVIEHOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9ClO2/c7-4-6(1-2-6)3-5(8)9/h1-4H2,(H,8,9).
What are the key properties of 2-[1-(chloromethyl)cyclopropyl]acetic acid?
2-[1-(chloromethyl)cyclopropyl]acetic acid has a molecular weight of 148.59 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(chloromethyl)cyclopropyl]acetic acid is sourced from PubChem (CID 55302932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).