3,5-diethyl-2-methoxycarbonylcyclopentane-1-carboxylic acid

C12H20O4 — CID 21351497

IUPAC3,5-diethyl-2-methoxycarbonylcyclopentane-1-carboxylic acid
SMILESCCC1CC(CC)C(C(=O)OC)C1C(=O)O
InChIInChI=1S/C12H20O4/c1-4-7-6-8(5-2)10(12(15)16-3)9(7)11(13)14/h7-10H,4-6H2,1-3H3,(H,13,14)
InChIKeyNUTAMZDXEKFIIV-UHFFFAOYSA-N
MW228.29 g/mol
LogP1.93
Rot. Bonds4

About 3,5-diethyl-2-methoxycarbonylcyclopentane-1-carboxylic acid

3,5-diethyl-2-methoxycarbonylcyclopentane-1-carboxylic acid (PubChem CID 21351497) has the molecular formula C12H20O4 and a molecular weight of 228.29 g/mol. Its IUPAC name is 3,5-diethyl-2-methoxycarbonylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3,5-diethyl-2-methoxycarbonylcyclopentane-1-carboxylic acid
PubChem CID21351497
Molecular FormulaC12H20O4
Molecular Weight228.29 g/mol
Exact Mass228.14
IUPAC Name3,5-diethyl-2-methoxycarbonylcyclopentane-1-carboxylic acid
SMILESCCC1CC(CC)C(C(=O)OC)C1C(=O)O
InChIInChI=1S/C12H20O4/c1-4-7-6-8(5-2)10(12(15)16-3)9(7)11(13)14/h7-10H,4-6H2,1-3H3,(H,13,14)
InChIKeyNUTAMZDXEKFIIV-UHFFFAOYSA-N
XLogP1.93
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3,5-diethyl-2-methoxycarbonylcyclopentane-1-carboxylic acid 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

2-[2-(2-ethoxyethoxy)ethoxycarbonyl]-3,5-diethylcyclopentane-1-carboxylic acid
CID 54208615
dimethyl 3-ethyl-6-methylcyclohexane-1,2-dicarboxylate
CID 151130651
3,5,6-tris(methoxycarbonyl)bicyclo[2.2.1]heptane-2-carboxylic acid
CID 20810647
3,5-bis(methoxycarbonyl)cyclohexane-1-carboxylic acid
CID 23444132
3,5-diethyl-2-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyloxycarbonyl)cyclopentane-1-carboxylic acid
CID 54219643
3-methoxycarbonylbicyclo[2.2.2]octane-2-carboxylic acid
CID 58339464
cis-(1S,3R)-3-methoxycarbonylcyclopentane-1-carboxylic acid
CID 10888375
(2R,3R)-3-methoxycarbonylbicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 59710721
3,5-diethyl-9-(methoxymethyl)tricyclo[5.2.1.02,6]decane-8-carboxylic acid
CID 21351604
1-O-benzyl 2-O-methyl 3-ethenyl-5-ethylcyclopentane-1,2-dicarboxylate
CID 90059435
3-methoxycarbonylcyclobutane-1,2-dicarboxylic acid
CID 23208873
cyclopentanecarboxylic acid;methane;methyl cyclopentanecarboxylate
CID 162270399

Frequently Asked Questions

What is the IUPAC name of 3,5-diethyl-2-methoxycarbonylcyclopentane-1-carboxylic acid?
The IUPAC name of 3,5-diethyl-2-methoxycarbonylcyclopentane-1-carboxylic acid (CID 21351497) is 3,5-diethyl-2-methoxycarbonylcyclopentane-1-carboxylic acid.
What is the SMILES notation for 3,5-diethyl-2-methoxycarbonylcyclopentane-1-carboxylic acid?
The canonical SMILES for 3,5-diethyl-2-methoxycarbonylcyclopentane-1-carboxylic acid is CCC1CC(CC)C(C(=O)OC)C1C(=O)O.
What is the InChIKey of 3,5-diethyl-2-methoxycarbonylcyclopentane-1-carboxylic acid?
The InChIKey is NUTAMZDXEKFIIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O4/c1-4-7-6-8(5-2)10(12(15)16-3)9(7)11(13)14/h7-10H,4-6H2,1-3H3,(H,13,14).
What are the key properties of 3,5-diethyl-2-methoxycarbonylcyclopentane-1-carboxylic acid?
3,5-diethyl-2-methoxycarbonylcyclopentane-1-carboxylic acid has a molecular weight of 228.29 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diethyl-2-methoxycarbonylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 21351497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).