methyl (1R)-3-hydroxycyclopentane-1-carboxylate

C7H12O3 — CID 90130718

IUPACmethyl (1R)-3-hydroxycyclopentane-1-carboxylate
SMILESCOC(=O)[C@@H]1CCC(O)C1
InChIInChI=1S/C7H12O3/c1-10-7(9)5-2-3-6(8)4-5/h5-6,8H,2-4H2,1H3/t5-,6?/m1/s1
InChIKeyASZRODBLMORHAR-LWOQYNTDSA-N
MW144.17 g/mol
LogP0.32
Rot. Bonds1

About methyl (1R)-3-hydroxycyclopentane-1-carboxylate

methyl (1R)-3-hydroxycyclopentane-1-carboxylate (PubChem CID 90130718) has the molecular formula C7H12O3 and a molecular weight of 144.17 g/mol. Its IUPAC name is methyl (1R)-3-hydroxycyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl (1R)-3-hydroxycyclopentane-1-carboxylate
PubChem CID90130718
Molecular FormulaC7H12O3
Molecular Weight144.17 g/mol
Exact Mass144.08
IUPAC Namemethyl (1R)-3-hydroxycyclopentane-1-carboxylate
SMILESCOC(=O)[C@@H]1CCC(O)C1
InChIInChI=1S/C7H12O3/c1-10-7(9)5-2-3-6(8)4-5/h5-6,8H,2-4H2,1H3/t5-,6?/m1/s1
InChIKeyASZRODBLMORHAR-LWOQYNTDSA-N
XLogP0.32
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
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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Frequently Asked Questions

What is the IUPAC name of methyl (1R)-3-hydroxycyclopentane-1-carboxylate?
The IUPAC name of methyl (1R)-3-hydroxycyclopentane-1-carboxylate (CID 90130718) is methyl (1R)-3-hydroxycyclopentane-1-carboxylate.
What is the SMILES notation for methyl (1R)-3-hydroxycyclopentane-1-carboxylate?
The canonical SMILES for methyl (1R)-3-hydroxycyclopentane-1-carboxylate is COC(=O)[C@@H]1CCC(O)C1.
What is the InChIKey of methyl (1R)-3-hydroxycyclopentane-1-carboxylate?
The InChIKey is ASZRODBLMORHAR-LWOQYNTDSA-N. The full InChI is InChI=1S/C7H12O3/c1-10-7(9)5-2-3-6(8)4-5/h5-6,8H,2-4H2,1H3/t5-,6?/m1/s1.
What are the key properties of methyl (1R)-3-hydroxycyclopentane-1-carboxylate?
methyl (1R)-3-hydroxycyclopentane-1-carboxylate has a molecular weight of 144.17 g/mol, XLogP of 0.32, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (1R)-3-hydroxycyclopentane-1-carboxylate is sourced from PubChem (CID 90130718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).