2-ethoxycarbonylcyclobutane-1-carboxylic acid

C8H12O4 — CID 19889622

IUPAC2-ethoxycarbonylcyclobutane-1-carboxylic acid
SMILESCCOC(=O)C1CCC1C(=O)O
InChIInChI=1S/C8H12O4/c1-2-12-8(11)6-4-3-5(6)7(9)10/h5-6H,2-4H2,1H3,(H,9,10)
InChIKeyWPMICURRLLIGEI-UHFFFAOYSA-N
MW172.18 g/mol
LogP0.66
Rot. Bonds3

About 2-ethoxycarbonylcyclobutane-1-carboxylic acid

2-ethoxycarbonylcyclobutane-1-carboxylic acid (PubChem CID 19889622) has the molecular formula C8H12O4 and a molecular weight of 172.18 g/mol. Its IUPAC name is 2-ethoxycarbonylcyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name2-ethoxycarbonylcyclobutane-1-carboxylic acid
PubChem CID19889622
Molecular FormulaC8H12O4
Molecular Weight172.18 g/mol
Exact Mass172.07
IUPAC Name2-ethoxycarbonylcyclobutane-1-carboxylic acid
SMILESCCOC(=O)C1CCC1C(=O)O
InChIInChI=1S/C8H12O4/c1-2-12-8(11)6-4-3-5(6)7(9)10/h5-6H,2-4H2,1H3,(H,9,10)
InChIKeyWPMICURRLLIGEI-UHFFFAOYSA-N
XLogP0.66
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.18
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-ethoxycarbonylcyclobutane-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

tris(ethane-1,2-diol);2-ethoxycarbonylcyclohexane-1-carboxylic acid
CID 67954498
(1R,2R,4R)-2-ethoxycarbonyl-4-hydroxycyclopentane-1-carboxylic acid
CID 59619444
cis-ethyl (1R,2S)-2-acetylcyclobutane-1-carboxylate
CID 165354551
(1R,6R)-6-ethoxycarbonyl-3,4-dimethylcyclohex-3-ene-1-carboxylic acid
CID 36691021
6-ethoxycarbonylbicyclo[3.1.0]hexane-2-carboxylic acid
CID 121455865
ethyl 2-aminocyclopropane-1-carboxylate
CID 53488445
trans-ethyl (1R,2R)-2-carbonochloridoylcyclopropane-1-carboxylate
CID 12547530
ethyl 2-acetylcyclopropane-1-carboxylate
CID 12537328
trans-ethyl (1S,2S)-2-methylcyclohexane-1-carboxylate
CID 28766550
ethyl 2-methylcyclopentane-1-carboxylate
CID 10844634
ethyl 5-hydroxy-2-methylcyclohexane-1-carboxylate
CID 22614095
6-ethoxycarbonyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxylic acid
CID 163840432

Frequently Asked Questions

What is the IUPAC name of 2-ethoxycarbonylcyclobutane-1-carboxylic acid?
The IUPAC name of 2-ethoxycarbonylcyclobutane-1-carboxylic acid (CID 19889622) is 2-ethoxycarbonylcyclobutane-1-carboxylic acid.
What is the SMILES notation for 2-ethoxycarbonylcyclobutane-1-carboxylic acid?
The canonical SMILES for 2-ethoxycarbonylcyclobutane-1-carboxylic acid is CCOC(=O)C1CCC1C(=O)O.
What is the InChIKey of 2-ethoxycarbonylcyclobutane-1-carboxylic acid?
The InChIKey is WPMICURRLLIGEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O4/c1-2-12-8(11)6-4-3-5(6)7(9)10/h5-6H,2-4H2,1H3,(H,9,10).
What are the key properties of 2-ethoxycarbonylcyclobutane-1-carboxylic acid?
2-ethoxycarbonylcyclobutane-1-carboxylic acid has a molecular weight of 172.18 g/mol, XLogP of 0.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxycarbonylcyclobutane-1-carboxylic acid is sourced from PubChem (CID 19889622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).