methyl 2-[(1S,2R)-2-(2-hydroxyethyl)cyclopropyl]acetate

C8H14O3 — CID 71443239

IUPACmethyl 2-[(1S,2R)-2-(2-hydroxyethyl)cyclopropyl]acetate
SMILESCOC(=O)C[C@@H]1C[C@@H]1CCO
InChIInChI=1S/C8H14O3/c1-11-8(10)5-7-4-6(7)2-3-9/h6-7,9H,2-5H2,1H3/t6-,7-/m0/s1
InChIKeyJIVJGPZLUCIQPA-BQBZGAKWSA-N
MW158.20 g/mol
LogP0.57
Rot. Bonds4

About methyl 2-[(1S,2R)-2-(2-hydroxyethyl)cyclopropyl]acetate

methyl 2-[(1S,2R)-2-(2-hydroxyethyl)cyclopropyl]acetate (PubChem CID 71443239) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is methyl 2-[(1S,2R)-2-(2-hydroxyethyl)cyclopropyl]acetate.

Molecular Properties

Compound Namemethyl 2-[(1S,2R)-2-(2-hydroxyethyl)cyclopropyl]acetate
PubChem CID71443239
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Namemethyl 2-[(1S,2R)-2-(2-hydroxyethyl)cyclopropyl]acetate
SMILESCOC(=O)C[C@@H]1C[C@@H]1CCO
InChIInChI=1S/C8H14O3/c1-11-8(10)5-7-4-6(7)2-3-9/h6-7,9H,2-5H2,1H3/t6-,7-/m0/s1
InChIKeyJIVJGPZLUCIQPA-BQBZGAKWSA-N
XLogP0.57
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(1S,2R)-2-(2-hydroxyethyl)cyclopropyl]acetate?
The IUPAC name of methyl 2-[(1S,2R)-2-(2-hydroxyethyl)cyclopropyl]acetate (CID 71443239) is methyl 2-[(1S,2R)-2-(2-hydroxyethyl)cyclopropyl]acetate.
What is the SMILES notation for methyl 2-[(1S,2R)-2-(2-hydroxyethyl)cyclopropyl]acetate?
The canonical SMILES for methyl 2-[(1S,2R)-2-(2-hydroxyethyl)cyclopropyl]acetate is COC(=O)C[C@@H]1C[C@@H]1CCO.
What is the InChIKey of methyl 2-[(1S,2R)-2-(2-hydroxyethyl)cyclopropyl]acetate?
The InChIKey is JIVJGPZLUCIQPA-BQBZGAKWSA-N. The full InChI is InChI=1S/C8H14O3/c1-11-8(10)5-7-4-6(7)2-3-9/h6-7,9H,2-5H2,1H3/t6-,7-/m0/s1.
What are the key properties of methyl 2-[(1S,2R)-2-(2-hydroxyethyl)cyclopropyl]acetate?
methyl 2-[(1S,2R)-2-(2-hydroxyethyl)cyclopropyl]acetate has a molecular weight of 158.20 g/mol, XLogP of 0.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(1S,2R)-2-(2-hydroxyethyl)cyclopropyl]acetate is sourced from PubChem (CID 71443239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).