cis-methyl (1S,2R)-2-(2-hydroxyethyl)cyclopropane-1-carboxylate

C7H12O3 — CID 96536470

IUPACcis-methyl (1S,2R)-2-(2-hydroxyethyl)cyclopropane-1-carboxylate
SMILESCOC(=O)[C@H]1C[C@@H]1CCO
InChIInChI=1S/C7H12O3/c1-10-7(9)6-4-5(6)2-3-8/h5-6,8H,2-4H2,1H3/t5-,6-/m0/s1
InChIKeyMQNJPIDNFCSASL-WDSKDSINSA-N
MW144.17 g/mol
LogP0.18
Rot. Bonds3

About cis-methyl (1S,2R)-2-(2-hydroxyethyl)cyclopropane-1-carboxylate

cis-methyl (1S,2R)-2-(2-hydroxyethyl)cyclopropane-1-carboxylate (PubChem CID 96536470) has the molecular formula C7H12O3 and a molecular weight of 144.17 g/mol. Its IUPAC name is cis-methyl (1S,2R)-2-(2-hydroxyethyl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Namecis-methyl (1S,2R)-2-(2-hydroxyethyl)cyclopropane-1-carboxylate
PubChem CID96536470
Molecular FormulaC7H12O3
Molecular Weight144.17 g/mol
Exact Mass144.08
IUPAC Namecis-methyl (1S,2R)-2-(2-hydroxyethyl)cyclopropane-1-carboxylate
SMILESCOC(=O)[C@H]1C[C@@H]1CCO
InChIInChI=1S/C7H12O3/c1-10-7(9)6-4-5(6)2-3-8/h5-6,8H,2-4H2,1H3/t5-,6-/m0/s1
InChIKeyMQNJPIDNFCSASL-WDSKDSINSA-N
XLogP0.18
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cis-methyl (1S,2R)-2-(2-hydroxyethyl)cyclopropane-1-carboxylate?
The IUPAC name of cis-methyl (1S,2R)-2-(2-hydroxyethyl)cyclopropane-1-carboxylate (CID 96536470) is cis-methyl (1S,2R)-2-(2-hydroxyethyl)cyclopropane-1-carboxylate.
What is the SMILES notation for cis-methyl (1S,2R)-2-(2-hydroxyethyl)cyclopropane-1-carboxylate?
The canonical SMILES for cis-methyl (1S,2R)-2-(2-hydroxyethyl)cyclopropane-1-carboxylate is COC(=O)[C@H]1C[C@@H]1CCO.
What is the InChIKey of cis-methyl (1S,2R)-2-(2-hydroxyethyl)cyclopropane-1-carboxylate?
The InChIKey is MQNJPIDNFCSASL-WDSKDSINSA-N. The full InChI is InChI=1S/C7H12O3/c1-10-7(9)6-4-5(6)2-3-8/h5-6,8H,2-4H2,1H3/t5-,6-/m0/s1.
What are the key properties of cis-methyl (1S,2R)-2-(2-hydroxyethyl)cyclopropane-1-carboxylate?
cis-methyl (1S,2R)-2-(2-hydroxyethyl)cyclopropane-1-carboxylate has a molecular weight of 144.17 g/mol, XLogP of 0.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-methyl (1S,2R)-2-(2-hydroxyethyl)cyclopropane-1-carboxylate is sourced from PubChem (CID 96536470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).