tert-butyl 2-[(1R)-3-hydroxycyclopentyl]oxyacetate

C11H20O4 — CID 143503788

IUPACtert-butyl 2-[(1R)-3-hydroxycyclopentyl]oxyacetate
SMILESCC(C)(C)OC(=O)CO[C@@H]1CCC(O)C1
InChIInChI=1S/C11H20O4/c1-11(2,3)15-10(13)7-14-9-5-4-8(12)6-9/h8-9,12H,4-7H2,1-3H3/t8?,9-/m1/s1
InChIKeyLYOXQDWWGPRKCO-YGPZHTELSA-N
MW216.28 g/mol
LogP1.26
Rot. Bonds3

About tert-butyl 2-[(1R)-3-hydroxycyclopentyl]oxyacetate

tert-butyl 2-[(1R)-3-hydroxycyclopentyl]oxyacetate (PubChem CID 143503788) has the molecular formula C11H20O4 and a molecular weight of 216.28 g/mol. Its IUPAC name is tert-butyl 2-[(1R)-3-hydroxycyclopentyl]oxyacetate.

Molecular Properties

Compound Nametert-butyl 2-[(1R)-3-hydroxycyclopentyl]oxyacetate
PubChem CID143503788
Molecular FormulaC11H20O4
Molecular Weight216.28 g/mol
Exact Mass216.14
IUPAC Nametert-butyl 2-[(1R)-3-hydroxycyclopentyl]oxyacetate
SMILESCC(C)(C)OC(=O)CO[C@@H]1CCC(O)C1
InChIInChI=1S/C11H20O4/c1-11(2,3)15-10(13)7-14-9-5-4-8(12)6-9/h8-9,12H,4-7H2,1-3H3/t8?,9-/m1/s1
InChIKeyLYOXQDWWGPRKCO-YGPZHTELSA-N
XLogP1.26
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 2-[(1R,3S)-3-hydroxycyclohexyl]oxyacetate
CID 58280201
2-methylbutan-2-yl 2-(3-hydroxycyclopentyl)oxyacetate
CID 70870522
tert-butyl 2-cyclopent-3-en-1-yloxyacetate
CID 123892094
1-O-(4-hydroxycyclohexyl) 5-O-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]cyclohexyl] 2-ethyl-2,4,4-trimethylpentanedioate
CID 140535498
tert-butyl 2-[(3R)-pyrrolidin-3-yl]oxyacetate
CID 126620309
tert-butyl 2-[4-[2-(hydroxyamino)-2-oxoethyl]cyclohexyl]oxyacetate
CID 140638339
tert-butyl 2-(4-hydroxycyclohexyl)acetate
CID 18919465
tert-butyl 2-[(1S,3R)-3-hydroxycyclohexyl]acetate
CID 160524581
tert-butyl 2-(1-but-3-ynylazetidin-3-yl)oxyacetate
CID 155218805
3-(2-methylpropoxy)cyclopentan-1-ol
CID 18953130
3-(methoxymethoxy)cyclopentan-1-ol
CID 91618356
ethyl 2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]oxyacetate
CID 138696066

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[(1R)-3-hydroxycyclopentyl]oxyacetate?
The IUPAC name of tert-butyl 2-[(1R)-3-hydroxycyclopentyl]oxyacetate (CID 143503788) is tert-butyl 2-[(1R)-3-hydroxycyclopentyl]oxyacetate.
What is the SMILES notation for tert-butyl 2-[(1R)-3-hydroxycyclopentyl]oxyacetate?
The canonical SMILES for tert-butyl 2-[(1R)-3-hydroxycyclopentyl]oxyacetate is CC(C)(C)OC(=O)CO[C@@H]1CCC(O)C1.
What is the InChIKey of tert-butyl 2-[(1R)-3-hydroxycyclopentyl]oxyacetate?
The InChIKey is LYOXQDWWGPRKCO-YGPZHTELSA-N. The full InChI is InChI=1S/C11H20O4/c1-11(2,3)15-10(13)7-14-9-5-4-8(12)6-9/h8-9,12H,4-7H2,1-3H3/t8?,9-/m1/s1.
What are the key properties of tert-butyl 2-[(1R)-3-hydroxycyclopentyl]oxyacetate?
tert-butyl 2-[(1R)-3-hydroxycyclopentyl]oxyacetate has a molecular weight of 216.28 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[(1R)-3-hydroxycyclopentyl]oxyacetate is sourced from PubChem (CID 143503788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).