methyl 2-cyclopropyl-2-hydroxypropanoate

C7H12O3 — CID 62212878

IUPACmethyl 2-cyclopropyl-2-hydroxypropanoate
SMILESCOC(=O)C(C)(O)C1CC1
InChIInChI=1S/C7H12O3/c1-7(9,5-3-4-5)6(8)10-2/h5,9H,3-4H2,1-2H3
InChIKeyGIQWECZOGNXQGD-UHFFFAOYSA-N
MW144.17 g/mol
LogP0.32
Rot. Bonds2

About methyl 2-cyclopropyl-2-hydroxypropanoate

methyl 2-cyclopropyl-2-hydroxypropanoate (PubChem CID 62212878) has the molecular formula C7H12O3 and a molecular weight of 144.17 g/mol. Its IUPAC name is methyl 2-cyclopropyl-2-hydroxypropanoate.

Molecular Properties

Compound Namemethyl 2-cyclopropyl-2-hydroxypropanoate
PubChem CID62212878
Molecular FormulaC7H12O3
Molecular Weight144.17 g/mol
Exact Mass144.08
IUPAC Namemethyl 2-cyclopropyl-2-hydroxypropanoate
SMILESCOC(=O)C(C)(O)C1CC1
InChIInChI=1S/C7H12O3/c1-7(9,5-3-4-5)6(8)10-2/h5,9H,3-4H2,1-2H3
InChIKeyGIQWECZOGNXQGD-UHFFFAOYSA-N
XLogP0.32
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl (2R)-2-cyclohexyl-2-hydroxypropanoate
CID 97047914
ethyl 2-hydroxy-2-[4-(trifluoromethyl)cyclohexyl]propanoate
CID 79308318
methyl 2-cyclopropyl-2-(propan-2-ylamino)propanoate
CID 60786156
methyl (2R)-2-[(2S,3S)-2-cyanooxolan-3-yl]-2-hydroxypropanoate
CID 11446955
ethyl 2-hydroxy-2-(4-propan-2-ylcyclohexyl)propanoate
CID 79299326
methyl 2-cyclopropyl-2-(cyclopropylmethylamino)propanoate
CID 61001123
methyl 2-cyclopropyl-2-methylsulfonyloxypropanoate
CID 87567850
methyl 2-amino-2-cyclopropyl-3,3-difluoropropanoate
CID 105437831
methyl (2S)-2-amino-2-cyclohexylpropanoate;hydrochloride
CID 69435032
methyl 2-cyclopropyl-2-hydroxy-2-phenylacetate
CID 23323992
methyl 2-cyclopropyl-2-phenylpropanoate
CID 131845988
methyl 2-methyl-2-(1-methylpiperidin-4-yl)propanoate
CID 116963121

Frequently Asked Questions

What is the IUPAC name of methyl 2-cyclopropyl-2-hydroxypropanoate?
The IUPAC name of methyl 2-cyclopropyl-2-hydroxypropanoate (CID 62212878) is methyl 2-cyclopropyl-2-hydroxypropanoate.
What is the SMILES notation for methyl 2-cyclopropyl-2-hydroxypropanoate?
The canonical SMILES for methyl 2-cyclopropyl-2-hydroxypropanoate is COC(=O)C(C)(O)C1CC1.
What is the InChIKey of methyl 2-cyclopropyl-2-hydroxypropanoate?
The InChIKey is GIQWECZOGNXQGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O3/c1-7(9,5-3-4-5)6(8)10-2/h5,9H,3-4H2,1-2H3.
What are the key properties of methyl 2-cyclopropyl-2-hydroxypropanoate?
methyl 2-cyclopropyl-2-hydroxypropanoate has a molecular weight of 144.17 g/mol, XLogP of 0.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-cyclopropyl-2-hydroxypropanoate is sourced from PubChem (CID 62212878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).