ethyl (1R,2S,3R)-2,3-dihydroxy-1,2-dimethylcyclopentane-1-carboxylate

C10H18O4 — CID 14042255

IUPACethyl (1R,2S,3R)-2,3-dihydroxy-1,2-dimethylcyclopentane-1-carboxylate
SMILESCCOC(=O)[C@]1(C)CC[C@@H](O)[C@@]1(C)O
InChIInChI=1S/C10H18O4/c1-4-14-8(12)9(2)6-5-7(11)10(9,3)13/h7,11,13H,4-6H2,1-3H3/t7-,9+,10-/m1/s1
InChIKeyPRQWDVTTZDVKCC-FKTZTGRPSA-N
MW202.25 g/mol
LogP0.46
Rot. Bonds2

About ethyl (1R,2S,3R)-2,3-dihydroxy-1,2-dimethylcyclopentane-1-carboxylate

ethyl (1R,2S,3R)-2,3-dihydroxy-1,2-dimethylcyclopentane-1-carboxylate (PubChem CID 14042255) has the molecular formula C10H18O4 and a molecular weight of 202.25 g/mol. Its IUPAC name is ethyl (1R,2S,3R)-2,3-dihydroxy-1,2-dimethylcyclopentane-1-carboxylate.

Molecular Properties

Compound Nameethyl (1R,2S,3R)-2,3-dihydroxy-1,2-dimethylcyclopentane-1-carboxylate
PubChem CID14042255
Molecular FormulaC10H18O4
Molecular Weight202.25 g/mol
Exact Mass202.12
IUPAC Nameethyl (1R,2S,3R)-2,3-dihydroxy-1,2-dimethylcyclopentane-1-carboxylate
SMILESCCOC(=O)[C@]1(C)CC[C@@H](O)[C@@]1(C)O
InChIInChI=1S/C10H18O4/c1-4-14-8(12)9(2)6-5-7(11)10(9,3)13/h7,11,13H,4-6H2,1-3H3/t7-,9+,10-/m1/s1
InChIKeyPRQWDVTTZDVKCC-FKTZTGRPSA-N
XLogP0.46
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze ethyl (1R,2S,3R)-2,3-dihydroxy-1,2-dimethylcyclopentane-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 ethyl (1R,2S,3R)-2,3-dihydroxy-1,2-dimethylcyclopentane-1-carboxylate?
The IUPAC name of ethyl (1R,2S,3R)-2,3-dihydroxy-1,2-dimethylcyclopentane-1-carboxylate (CID 14042255) is ethyl (1R,2S,3R)-2,3-dihydroxy-1,2-dimethylcyclopentane-1-carboxylate.
What is the SMILES notation for ethyl (1R,2S,3R)-2,3-dihydroxy-1,2-dimethylcyclopentane-1-carboxylate?
The canonical SMILES for ethyl (1R,2S,3R)-2,3-dihydroxy-1,2-dimethylcyclopentane-1-carboxylate is CCOC(=O)[C@]1(C)CC[C@@H](O)[C@@]1(C)O.
What is the InChIKey of ethyl (1R,2S,3R)-2,3-dihydroxy-1,2-dimethylcyclopentane-1-carboxylate?
The InChIKey is PRQWDVTTZDVKCC-FKTZTGRPSA-N. The full InChI is InChI=1S/C10H18O4/c1-4-14-8(12)9(2)6-5-7(11)10(9,3)13/h7,11,13H,4-6H2,1-3H3/t7-,9+,10-/m1/s1.
What are the key properties of ethyl (1R,2S,3R)-2,3-dihydroxy-1,2-dimethylcyclopentane-1-carboxylate?
ethyl (1R,2S,3R)-2,3-dihydroxy-1,2-dimethylcyclopentane-1-carboxylate has a molecular weight of 202.25 g/mol, XLogP of 0.46, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (1R,2S,3R)-2,3-dihydroxy-1,2-dimethylcyclopentane-1-carboxylate is sourced from PubChem (CID 14042255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).