(3R)-3-methoxy-4,4-dimethylcyclopentene-1,2-dicarboxylic acid

C10H14O5 — CID 94037386

IUPAC(3R)-3-methoxy-4,4-dimethylcyclopentene-1,2-dicarboxylic acid
SMILESCO[C@H]1C(C(=O)O)=C(C(=O)O)CC1(C)C
InChIInChI=1S/C10H14O5/c1-10(2)4-5(8(11)12)6(9(13)14)7(10)15-3/h7H,4H2,1-3H3,(H,11,12)(H,13,14)/t7-/m0/s1
InChIKeyCXBRFPPQMJTAPC-ZETCQYMHSA-N
MW214.22 g/mol
LogP0.90
Rot. Bonds3

About (3R)-3-methoxy-4,4-dimethylcyclopentene-1,2-dicarboxylic acid

(3R)-3-methoxy-4,4-dimethylcyclopentene-1,2-dicarboxylic acid (PubChem CID 94037386) has the molecular formula C10H14O5 and a molecular weight of 214.22 g/mol. Its IUPAC name is (3R)-3-methoxy-4,4-dimethylcyclopentene-1,2-dicarboxylic acid.

Molecular Properties

Compound Name(3R)-3-methoxy-4,4-dimethylcyclopentene-1,2-dicarboxylic acid
PubChem CID94037386
Molecular FormulaC10H14O5
Molecular Weight214.22 g/mol
Exact Mass214.08
IUPAC Name(3R)-3-methoxy-4,4-dimethylcyclopentene-1,2-dicarboxylic acid
SMILESCO[C@H]1C(C(=O)O)=C(C(=O)O)CC1(C)C
InChIInChI=1S/C10H14O5/c1-10(2)4-5(8(11)12)6(9(13)14)7(10)15-3/h7H,4H2,1-3H3,(H,11,12)(H,13,14)/t7-/m0/s1
InChIKeyCXBRFPPQMJTAPC-ZETCQYMHSA-N
XLogP0.90
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3R)-3-methoxy-4,4-dimethylcyclopentene-1,2-dicarboxylic acid 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 (3R)-3-methoxy-4,4-dimethylcyclopentene-1,2-dicarboxylic acid?
The IUPAC name of (3R)-3-methoxy-4,4-dimethylcyclopentene-1,2-dicarboxylic acid (CID 94037386) is (3R)-3-methoxy-4,4-dimethylcyclopentene-1,2-dicarboxylic acid.
What is the SMILES notation for (3R)-3-methoxy-4,4-dimethylcyclopentene-1,2-dicarboxylic acid?
The canonical SMILES for (3R)-3-methoxy-4,4-dimethylcyclopentene-1,2-dicarboxylic acid is CO[C@H]1C(C(=O)O)=C(C(=O)O)CC1(C)C.
What is the InChIKey of (3R)-3-methoxy-4,4-dimethylcyclopentene-1,2-dicarboxylic acid?
The InChIKey is CXBRFPPQMJTAPC-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H14O5/c1-10(2)4-5(8(11)12)6(9(13)14)7(10)15-3/h7H,4H2,1-3H3,(H,11,12)(H,13,14)/t7-/m0/s1.
What are the key properties of (3R)-3-methoxy-4,4-dimethylcyclopentene-1,2-dicarboxylic acid?
(3R)-3-methoxy-4,4-dimethylcyclopentene-1,2-dicarboxylic acid has a molecular weight of 214.22 g/mol, XLogP of 0.90, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-methoxy-4,4-dimethylcyclopentene-1,2-dicarboxylic acid is sourced from PubChem (CID 94037386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).