cyclopentyl (2R)-2-methyl-4-oxo-3H-pyran-2-carboxylate

C12H16O4 — CID 102440227

IUPACcyclopentyl (2R)-2-methyl-4-oxo-3H-pyran-2-carboxylate
SMILESC[C@]1(C(=O)OC2CCCC2)CC(=O)C=CO1
InChIInChI=1S/C12H16O4/c1-12(8-9(13)6-7-15-12)11(14)16-10-4-2-3-5-10/h6-7,10H,2-5,8H2,1H3/t12-/m1/s1
InChIKeyMNYNKVDIGACWPI-GFCCVEGCSA-N
MW224.26 g/mol
LogP1.73
Rot. Bonds2

About cyclopentyl (2R)-2-methyl-4-oxo-3H-pyran-2-carboxylate

cyclopentyl (2R)-2-methyl-4-oxo-3H-pyran-2-carboxylate (PubChem CID 102440227) has the molecular formula C12H16O4 and a molecular weight of 224.26 g/mol. Its IUPAC name is cyclopentyl (2R)-2-methyl-4-oxo-3H-pyran-2-carboxylate.

Molecular Properties

Compound Namecyclopentyl (2R)-2-methyl-4-oxo-3H-pyran-2-carboxylate
PubChem CID102440227
Molecular FormulaC12H16O4
Molecular Weight224.26 g/mol
Exact Mass224.10
IUPAC Namecyclopentyl (2R)-2-methyl-4-oxo-3H-pyran-2-carboxylate
SMILESC[C@]1(C(=O)OC2CCCC2)CC(=O)C=CO1
InChIInChI=1S/C12H16O4/c1-12(8-9(13)6-7-15-12)11(14)16-10-4-2-3-5-10/h6-7,10H,2-5,8H2,1H3/t12-/m1/s1
InChIKeyMNYNKVDIGACWPI-GFCCVEGCSA-N
XLogP1.73
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze cyclopentyl (2R)-2-methyl-4-oxo-3H-pyran-2-carboxylate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of cyclopentyl (2R)-2-methyl-4-oxo-3H-pyran-2-carboxylate?
The IUPAC name of cyclopentyl (2R)-2-methyl-4-oxo-3H-pyran-2-carboxylate (CID 102440227) is cyclopentyl (2R)-2-methyl-4-oxo-3H-pyran-2-carboxylate.
What is the SMILES notation for cyclopentyl (2R)-2-methyl-4-oxo-3H-pyran-2-carboxylate?
The canonical SMILES for cyclopentyl (2R)-2-methyl-4-oxo-3H-pyran-2-carboxylate is C[C@]1(C(=O)OC2CCCC2)CC(=O)C=CO1.
What is the InChIKey of cyclopentyl (2R)-2-methyl-4-oxo-3H-pyran-2-carboxylate?
The InChIKey is MNYNKVDIGACWPI-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H16O4/c1-12(8-9(13)6-7-15-12)11(14)16-10-4-2-3-5-10/h6-7,10H,2-5,8H2,1H3/t12-/m1/s1.
What are the key properties of cyclopentyl (2R)-2-methyl-4-oxo-3H-pyran-2-carboxylate?
cyclopentyl (2R)-2-methyl-4-oxo-3H-pyran-2-carboxylate has a molecular weight of 224.26 g/mol, XLogP of 1.73, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl (2R)-2-methyl-4-oxo-3H-pyran-2-carboxylate is sourced from PubChem (CID 102440227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).