1-(2-ethoxyethylcarbamoyl)cyclobutane-1-carboxylic acid

C10H17NO4 — CID 62096609

IUPAC1-(2-ethoxyethylcarbamoyl)cyclobutane-1-carboxylic acid
SMILESCCOCCNC(=O)C1(C(=O)O)CCC1
InChIInChI=1S/C10H17NO4/c1-2-15-7-6-11-8(12)10(9(13)14)4-3-5-10/h2-7H2,1H3,(H,11,12)(H,13,14)
InChIKeyBCKPGWJTXKLXPJ-UHFFFAOYSA-N
MW215.25 g/mol
LogP0.39
Rot. Bonds6

About 1-(2-ethoxyethylcarbamoyl)cyclobutane-1-carboxylic acid

1-(2-ethoxyethylcarbamoyl)cyclobutane-1-carboxylic acid (PubChem CID 62096609) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is 1-(2-ethoxyethylcarbamoyl)cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-(2-ethoxyethylcarbamoyl)cyclobutane-1-carboxylic acid
PubChem CID62096609
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Name1-(2-ethoxyethylcarbamoyl)cyclobutane-1-carboxylic acid
SMILESCCOCCNC(=O)C1(C(=O)O)CCC1
InChIInChI=1S/C10H17NO4/c1-2-15-7-6-11-8(12)10(9(13)14)4-3-5-10/h2-7H2,1H3,(H,11,12)(H,13,14)
InChIKeyBCKPGWJTXKLXPJ-UHFFFAOYSA-N
XLogP0.39
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(2-ethoxyethylcarbamoyl)cyclobutane-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

1-[2-(2,2,2-trifluoroethoxy)ethylcarbamoyl]cyclobutane-1-carboxylic acid
CID 55261667
cyclobutane-1,1-dicarboxylic acid;ethoxyethane
CID 174756320
1-(2-cyclohexyloxyethylcarbamoyl)cyclobutane-1-carboxylic acid
CID 63833547
1-[2-(diethylamino)ethylcarbamoyl]cyclobutane-1-carboxylic acid
CID 62095043
1-[2-[ethyl(methyl)amino]ethylcarbamoyl]cyclobutane-1-carboxylic acid
CID 62635571
1-(4-propan-2-yloxybutylcarbamoyl)cyclobutane-1-carboxylic acid
CID 106005703
1-[[3-(methylamino)-3-oxopropyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 62096994
2-amino-N-(2-ethoxyethyl)-1-methylcyclopentane-1-carboxamide
CID 82764809
1-(2-ethoxyethylcarbamoylamino)-2,6-dimethylcyclohexane-1-carboxylic acid
CID 43457137
N-[2-(2-ethoxyethoxy)ethyl]-4-hydroxyoxane-4-carboxamide
CID 167960646
1-(2-piperidin-1-ylethylcarbamoyl)cyclobutane-1-carboxylic acid
CID 55034653
1-[2-(4-propan-2-yloxyanilino)ethylcarbamoyl]cyclobutane-1-carboxylic acid
CID 166275715

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyethylcarbamoyl)cyclobutane-1-carboxylic acid?
The IUPAC name of 1-(2-ethoxyethylcarbamoyl)cyclobutane-1-carboxylic acid (CID 62096609) is 1-(2-ethoxyethylcarbamoyl)cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-(2-ethoxyethylcarbamoyl)cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-(2-ethoxyethylcarbamoyl)cyclobutane-1-carboxylic acid is CCOCCNC(=O)C1(C(=O)O)CCC1.
What is the InChIKey of 1-(2-ethoxyethylcarbamoyl)cyclobutane-1-carboxylic acid?
The InChIKey is BCKPGWJTXKLXPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO4/c1-2-15-7-6-11-8(12)10(9(13)14)4-3-5-10/h2-7H2,1H3,(H,11,12)(H,13,14).
What are the key properties of 1-(2-ethoxyethylcarbamoyl)cyclobutane-1-carboxylic acid?
1-(2-ethoxyethylcarbamoyl)cyclobutane-1-carboxylic acid has a molecular weight of 215.25 g/mol, XLogP of 0.39, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyethylcarbamoyl)cyclobutane-1-carboxylic acid is sourced from PubChem (CID 62096609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).