trans-diethyl (1R,2R)-3-(hydroxymethyl)cyclopropane-1,2-dicarboxylate

C10H16O5 — CID 102308215

IUPACtrans-diethyl (1R,2R)-3-(hydroxymethyl)cyclopropane-1,2-dicarboxylate
SMILESCCOC(=O)[C@@H]1C(CO)[C@H]1C(=O)OCC
InChIInChI=1S/C10H16O5/c1-3-14-9(12)7-6(5-11)8(7)10(13)15-4-2/h6-8,11H,3-5H2,1-2H3/t7-,8-/m1/s1
InChIKeyCITUWWFZCNASGP-HTQZYQBOSA-N
MW216.23 g/mol
LogP-0.03
Rot. Bonds5

About trans-diethyl (1R,2R)-3-(hydroxymethyl)cyclopropane-1,2-dicarboxylate

trans-diethyl (1R,2R)-3-(hydroxymethyl)cyclopropane-1,2-dicarboxylate (PubChem CID 102308215) has the molecular formula C10H16O5 and a molecular weight of 216.23 g/mol. Its IUPAC name is trans-diethyl (1R,2R)-3-(hydroxymethyl)cyclopropane-1,2-dicarboxylate.

Molecular Properties

Compound Nametrans-diethyl (1R,2R)-3-(hydroxymethyl)cyclopropane-1,2-dicarboxylate
PubChem CID102308215
Molecular FormulaC10H16O5
Molecular Weight216.23 g/mol
Exact Mass216.10
IUPAC Nametrans-diethyl (1R,2R)-3-(hydroxymethyl)cyclopropane-1,2-dicarboxylate
SMILESCCOC(=O)[C@@H]1C(CO)[C@H]1C(=O)OCC
InChIInChI=1S/C10H16O5/c1-3-14-9(12)7-6(5-11)8(7)10(13)15-4-2/h6-8,11H,3-5H2,1-2H3/t7-,8-/m1/s1
InChIKeyCITUWWFZCNASGP-HTQZYQBOSA-N
XLogP-0.03
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.23
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze trans-diethyl (1R,2R)-3-(hydroxymethyl)cyclopropane-1,2-dicarboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

cis-diethyl (1R,2S)-3-[(dimethylamino)methyl]cyclopropane-1,2-dicarboxylate
CID 71480426
diethyl 3,4-dimethylcyclobutane-1,2-dicarboxylate
CID 121013896
cis-ethyl (2R,3S)-2,3-bis(bromomethyl)cyclopropane-1-carboxylate
CID 11822694
ethyl (1R,2S,3R)-2-[amino(isocyano)methyl]-3-(hydroxymethyl)cyclopropane-1-carboxylate
CID 58719626
tetraethyl bicyclo[2.2.2]oct-7-ene-2,3,5,6-tetracarboxylate
CID 12580813
ethyl (1S,2R,3S)-2-(hydroxymethyl)-3-[(4-nitrophenyl)carbamoyl]cyclopropane-1-carboxylate
CID 177440482
ethyl (1R,2R,3R)-2-(2-hydroxyethyl)-3-prop-2-enylcyclopropane-1-carboxylate
CID 101147143
ethyl cycloprop-2-ene-1-carboxylate
CID 14936132
diethyl (1S,4R)-bicyclo[2.2.1]heptane-2,3-dicarboxylate
CID 11107465
diethyl (1R,3R,4S)-bicyclo[2.2.1]heptane-2,3-dicarboxylate
CID 58077966
diethyl (2R,3R)-bicyclo[2.2.1]heptane-2,3-dicarboxylate
CID 59722419
ethyl 2,3-dihexylcyclopropane-1-carboxylate
CID 101157938

Frequently Asked Questions

What is the IUPAC name of trans-diethyl (1R,2R)-3-(hydroxymethyl)cyclopropane-1,2-dicarboxylate?
The IUPAC name of trans-diethyl (1R,2R)-3-(hydroxymethyl)cyclopropane-1,2-dicarboxylate (CID 102308215) is trans-diethyl (1R,2R)-3-(hydroxymethyl)cyclopropane-1,2-dicarboxylate.
What is the SMILES notation for trans-diethyl (1R,2R)-3-(hydroxymethyl)cyclopropane-1,2-dicarboxylate?
The canonical SMILES for trans-diethyl (1R,2R)-3-(hydroxymethyl)cyclopropane-1,2-dicarboxylate is CCOC(=O)[C@@H]1C(CO)[C@H]1C(=O)OCC.
What is the InChIKey of trans-diethyl (1R,2R)-3-(hydroxymethyl)cyclopropane-1,2-dicarboxylate?
The InChIKey is CITUWWFZCNASGP-HTQZYQBOSA-N. The full InChI is InChI=1S/C10H16O5/c1-3-14-9(12)7-6(5-11)8(7)10(13)15-4-2/h6-8,11H,3-5H2,1-2H3/t7-,8-/m1/s1.
What are the key properties of trans-diethyl (1R,2R)-3-(hydroxymethyl)cyclopropane-1,2-dicarboxylate?
trans-diethyl (1R,2R)-3-(hydroxymethyl)cyclopropane-1,2-dicarboxylate has a molecular weight of 216.23 g/mol, XLogP of -0.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trans-diethyl (1R,2R)-3-(hydroxymethyl)cyclopropane-1,2-dicarboxylate is sourced from PubChem (CID 102308215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).