trans-methyl (1S,2S)-2-(2-methoxy-2-oxoethyl)cyclopropane-1-carboxylate

C8H12O4 — CID 91746696

IUPACtrans-methyl (1S,2S)-2-(2-methoxy-2-oxoethyl)cyclopropane-1-carboxylate
SMILESCOC(=O)C[C@@H]1C[C@@H]1C(=O)OC
InChIInChI=1S/C8H12O4/c1-11-7(9)4-5-3-6(5)8(10)12-2/h5-6H,3-4H2,1-2H3/t5-,6-/m0/s1
InChIKeyUXTUIDNFTDLRIX-WDSKDSINSA-N
MW172.18 g/mol
LogP0.36
Rot. Bonds3

About trans-methyl (1S,2S)-2-(2-methoxy-2-oxoethyl)cyclopropane-1-carboxylate

trans-methyl (1S,2S)-2-(2-methoxy-2-oxoethyl)cyclopropane-1-carboxylate (PubChem CID 91746696) has the molecular formula C8H12O4 and a molecular weight of 172.18 g/mol. Its IUPAC name is trans-methyl (1S,2S)-2-(2-methoxy-2-oxoethyl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Nametrans-methyl (1S,2S)-2-(2-methoxy-2-oxoethyl)cyclopropane-1-carboxylate
PubChem CID91746696
Molecular FormulaC8H12O4
Molecular Weight172.18 g/mol
Exact Mass172.07
IUPAC Nametrans-methyl (1S,2S)-2-(2-methoxy-2-oxoethyl)cyclopropane-1-carboxylate
SMILESCOC(=O)C[C@@H]1C[C@@H]1C(=O)OC
InChIInChI=1S/C8H12O4/c1-11-7(9)4-5-3-6(5)8(10)12-2/h5-6H,3-4H2,1-2H3/t5-,6-/m0/s1
InChIKeyUXTUIDNFTDLRIX-WDSKDSINSA-N
XLogP0.36
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.18
LogP ≤ 50.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze trans-methyl (1S,2S)-2-(2-methoxy-2-oxoethyl)cyclopropane-1-carboxylate 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-methyl (1R,2S)-2-(2-methoxy-2-oxoethyl)cyclopropane-1-carboxylate
CID 91746697
CID 89108103
CID 89108103
cis-methyl (1R,2R)-2-(fluoromethyl)cyclopropane-1-carboxylate
CID 122227702
cis-methyl (1S,2R)-2-(2-hydroxyethyl)cyclopropane-1-carboxylate
CID 96536470
trans-methyl (1R,2R)-2-(2-hydroxyethyl)cyclopropane-1-carboxylate
CID 13005722
dimethyl cyclopropane-1,2-dicarboxylate
CID 2724542
tetramethyl (1S,2R,4S,5R)-cyclohexane-1,2,4,5-tetracarboxylate
CID 102016488
cis-methyl (1R,2S)-2-(2-aminoethyl)cyclopropane-1-carboxylate;hydrochloride
CID 167735532
methyl 2-[2-(2-methoxy-2-oxoethyl)cycloheptyl]acetate
CID 12704967
methyl 2-hydroxy-5-(2-methoxy-2-oxoethyl)cyclopentane-1-carboxylate
CID 122550677
trans-methyl (1R,2S)-2-hexylcyclopropane-1-carboxylate
CID 12509721
methyl 2-[(1S,2R)-2-(2-hydroxyethyl)cyclopropyl]acetate
CID 71443239

Frequently Asked Questions

What is the IUPAC name of trans-methyl (1S,2S)-2-(2-methoxy-2-oxoethyl)cyclopropane-1-carboxylate?
The IUPAC name of trans-methyl (1S,2S)-2-(2-methoxy-2-oxoethyl)cyclopropane-1-carboxylate (CID 91746696) is trans-methyl (1S,2S)-2-(2-methoxy-2-oxoethyl)cyclopropane-1-carboxylate.
What is the SMILES notation for trans-methyl (1S,2S)-2-(2-methoxy-2-oxoethyl)cyclopropane-1-carboxylate?
The canonical SMILES for trans-methyl (1S,2S)-2-(2-methoxy-2-oxoethyl)cyclopropane-1-carboxylate is COC(=O)C[C@@H]1C[C@@H]1C(=O)OC.
What is the InChIKey of trans-methyl (1S,2S)-2-(2-methoxy-2-oxoethyl)cyclopropane-1-carboxylate?
The InChIKey is UXTUIDNFTDLRIX-WDSKDSINSA-N. The full InChI is InChI=1S/C8H12O4/c1-11-7(9)4-5-3-6(5)8(10)12-2/h5-6H,3-4H2,1-2H3/t5-,6-/m0/s1.
What are the key properties of trans-methyl (1S,2S)-2-(2-methoxy-2-oxoethyl)cyclopropane-1-carboxylate?
trans-methyl (1S,2S)-2-(2-methoxy-2-oxoethyl)cyclopropane-1-carboxylate has a molecular weight of 172.18 g/mol, XLogP of 0.36, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-methyl (1S,2S)-2-(2-methoxy-2-oxoethyl)cyclopropane-1-carboxylate is sourced from PubChem (CID 91746696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).