trans-methyl (1R,2R)-2-(2-hydroxyethyl)cyclopropane-1-carboxylate

C7H12O3 — CID 13005722

IUPACtrans-methyl (1R,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-NTSWFWBYSA-N
MW144.17 g/mol
LogP0.18
Rot. Bonds3

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

trans-methyl (1R,2R)-2-(2-hydroxyethyl)cyclopropane-1-carboxylate (PubChem CID 13005722) has the molecular formula C7H12O3 and a molecular weight of 144.17 g/mol. Its IUPAC name is trans-methyl (1R,2R)-2-(2-hydroxyethyl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Nametrans-methyl (1R,2R)-2-(2-hydroxyethyl)cyclopropane-1-carboxylate
PubChem CID13005722
Molecular FormulaC7H12O3
Molecular Weight144.17 g/mol
Exact Mass144.08
IUPAC Nametrans-methyl (1R,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-NTSWFWBYSA-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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Related Compounds

cis-methyl (1S,2R)-2-(2-hydroxyethyl)cyclopropane-1-carboxylate
CID 96536470
cis-methyl (1R,2S)-2-(2-aminoethyl)cyclopropane-1-carboxylate;hydrochloride
CID 167735532
cis-tert-butyl (1S,2R)-2-(2-hydroxyethyl)cyclopropane-1-carboxylate
CID 163289447
trans-methyl (1R,2S)-2-hexylcyclopropane-1-carboxylate
CID 12509721
CID 89108103
CID 89108103
cis-methyl (1R,2R)-2-(fluoromethyl)cyclopropane-1-carboxylate
CID 122227702
cis-methyl (1R,2S)-2-(2-methoxy-2-oxoethyl)cyclopropane-1-carboxylate
CID 91746697
trans-methyl (1S,2S)-2-(2-methoxy-2-oxoethyl)cyclopropane-1-carboxylate
CID 91746696
dimethyl cyclopropane-1,2-dicarboxylate
CID 2724542
tetramethyl (1S,2R,4S,5R)-cyclohexane-1,2,4,5-tetracarboxylate
CID 102016488
cis-(1S,2R)-2-(2-hydroxyethyl)cyclopropane-1-carboxylic acid
CID 146256670
trans-dimethyl (1R,2R)-4-(hydroxymethyl)cyclopentane-1,2-dicarboxylate
CID 10330914

Frequently Asked Questions

What is the IUPAC name of trans-methyl (1R,2R)-2-(2-hydroxyethyl)cyclopropane-1-carboxylate?
The IUPAC name of trans-methyl (1R,2R)-2-(2-hydroxyethyl)cyclopropane-1-carboxylate (CID 13005722) is trans-methyl (1R,2R)-2-(2-hydroxyethyl)cyclopropane-1-carboxylate.
What is the SMILES notation for trans-methyl (1R,2R)-2-(2-hydroxyethyl)cyclopropane-1-carboxylate?
The canonical SMILES for trans-methyl (1R,2R)-2-(2-hydroxyethyl)cyclopropane-1-carboxylate is COC(=O)[C@@H]1C[C@@H]1CCO.
What is the InChIKey of trans-methyl (1R,2R)-2-(2-hydroxyethyl)cyclopropane-1-carboxylate?
The InChIKey is MQNJPIDNFCSASL-NTSWFWBYSA-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 trans-methyl (1R,2R)-2-(2-hydroxyethyl)cyclopropane-1-carboxylate?
trans-methyl (1R,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 trans-methyl (1R,2R)-2-(2-hydroxyethyl)cyclopropane-1-carboxylate is sourced from PubChem (CID 13005722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).