propan-2-yl (4R)-4-methyl-2-oxocyclopentane-1-carboxylate

C10H16O3 — CID 11528468

IUPACpropan-2-yl (4R)-4-methyl-2-oxocyclopentane-1-carboxylate
SMILESCC(C)OC(=O)C1C[C@@H](C)CC1=O
InChIInChI=1S/C10H16O3/c1-6(2)13-10(12)8-4-7(3)5-9(8)11/h6-8H,4-5H2,1-3H3/t7-,8?/m1/s1
InChIKeyGAZNXTWSPOTJPE-GVHYBUMESA-N
MW184.23 g/mol
LogP1.55
Rot. Bonds2

About propan-2-yl (4R)-4-methyl-2-oxocyclopentane-1-carboxylate

propan-2-yl (4R)-4-methyl-2-oxocyclopentane-1-carboxylate (PubChem CID 11528468) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is propan-2-yl (4R)-4-methyl-2-oxocyclopentane-1-carboxylate.

Molecular Properties

Compound Namepropan-2-yl (4R)-4-methyl-2-oxocyclopentane-1-carboxylate
PubChem CID11528468
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Namepropan-2-yl (4R)-4-methyl-2-oxocyclopentane-1-carboxylate
SMILESCC(C)OC(=O)C1C[C@@H](C)CC1=O
InChIInChI=1S/C10H16O3/c1-6(2)13-10(12)8-4-7(3)5-9(8)11/h6-8H,4-5H2,1-3H3/t7-,8?/m1/s1
InChIKeyGAZNXTWSPOTJPE-GVHYBUMESA-N
XLogP1.55
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze propan-2-yl (4R)-4-methyl-2-oxocyclopentane-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

Frequently Asked Questions

What is the IUPAC name of propan-2-yl (4R)-4-methyl-2-oxocyclopentane-1-carboxylate?
The IUPAC name of propan-2-yl (4R)-4-methyl-2-oxocyclopentane-1-carboxylate (CID 11528468) is propan-2-yl (4R)-4-methyl-2-oxocyclopentane-1-carboxylate.
What is the SMILES notation for propan-2-yl (4R)-4-methyl-2-oxocyclopentane-1-carboxylate?
The canonical SMILES for propan-2-yl (4R)-4-methyl-2-oxocyclopentane-1-carboxylate is CC(C)OC(=O)C1C[C@@H](C)CC1=O.
What is the InChIKey of propan-2-yl (4R)-4-methyl-2-oxocyclopentane-1-carboxylate?
The InChIKey is GAZNXTWSPOTJPE-GVHYBUMESA-N. The full InChI is InChI=1S/C10H16O3/c1-6(2)13-10(12)8-4-7(3)5-9(8)11/h6-8H,4-5H2,1-3H3/t7-,8?/m1/s1.
What are the key properties of propan-2-yl (4R)-4-methyl-2-oxocyclopentane-1-carboxylate?
propan-2-yl (4R)-4-methyl-2-oxocyclopentane-1-carboxylate has a molecular weight of 184.23 g/mol, XLogP of 1.55, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl (4R)-4-methyl-2-oxocyclopentane-1-carboxylate is sourced from PubChem (CID 11528468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).