ethyl 2-(diethylamino)-3-methylcyclobutane-1-carboxylate

C12H23NO2 — CID 134989315

IUPACethyl 2-(diethylamino)-3-methylcyclobutane-1-carboxylate
SMILESCCOC(=O)C1CC(C)C1N(CC)CC
InChIInChI=1S/C12H23NO2/c1-5-13(6-2)11-9(4)8-10(11)12(14)15-7-3/h9-11H,5-8H2,1-4H3
InChIKeyWHGUBTQMWULXBP-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.92
Rot. Bonds5

About ethyl 2-(diethylamino)-3-methylcyclobutane-1-carboxylate

ethyl 2-(diethylamino)-3-methylcyclobutane-1-carboxylate (PubChem CID 134989315) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is ethyl 2-(diethylamino)-3-methylcyclobutane-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-(diethylamino)-3-methylcyclobutane-1-carboxylate
PubChem CID134989315
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Nameethyl 2-(diethylamino)-3-methylcyclobutane-1-carboxylate
SMILESCCOC(=O)C1CC(C)C1N(CC)CC
InChIInChI=1S/C12H23NO2/c1-5-13(6-2)11-9(4)8-10(11)12(14)15-7-3/h9-11H,5-8H2,1-4H3
InChIKeyWHGUBTQMWULXBP-UHFFFAOYSA-N
XLogP1.92
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethyl 2-(diethylamino)-3-methylcyclobutane-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

Related Compounds

Ethyl 1-methylpiperidine-3-carboxylate
CID 97981
ethyl (3S)-1-methylpiperidine-3-carboxylate
CID 736035
ethyl (3R)-1-methylpiperidine-3-carboxylate
CID 736036
Ethyl 1-ethylpiperidine-3-carboxylate
CID 13905176
3-(Ethoxycarbonyl)-1,1-dimethylpiperidinium iodide
CID 86652334
ethyl (3S)-1-(3-ethoxycyclobutyl)piperidine-3-carboxylate
CID 100718754
Ethyl 3-fluoro-1-propan-2-ylpiperidine-3-carboxylate
CID 67986560
Ethyl 1-pentylpiperidine-3-carboxylate
CID 60346059
Methyl 2-(diethylamino)-3-methylcyclobutane-1-carboxylate
CID 85290785
Methyl 2-(diethylamino)-3,4-dimethylcyclobutane-1-carboxylate
CID 134918662
Methyl 2-(dimethylamino)-3-methylcyclobutane-1-carboxylate
CID 134989174
Methyl 2-(diethylamino)-3-ethylcyclobutane-1-carboxylate
CID 134989505

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(diethylamino)-3-methylcyclobutane-1-carboxylate?
The IUPAC name of ethyl 2-(diethylamino)-3-methylcyclobutane-1-carboxylate (CID 134989315) is ethyl 2-(diethylamino)-3-methylcyclobutane-1-carboxylate.
What is the SMILES notation for ethyl 2-(diethylamino)-3-methylcyclobutane-1-carboxylate?
The canonical SMILES for ethyl 2-(diethylamino)-3-methylcyclobutane-1-carboxylate is CCOC(=O)C1CC(C)C1N(CC)CC.
What is the InChIKey of ethyl 2-(diethylamino)-3-methylcyclobutane-1-carboxylate?
The InChIKey is WHGUBTQMWULXBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-5-13(6-2)11-9(4)8-10(11)12(14)15-7-3/h9-11H,5-8H2,1-4H3.
What are the key properties of ethyl 2-(diethylamino)-3-methylcyclobutane-1-carboxylate?
ethyl 2-(diethylamino)-3-methylcyclobutane-1-carboxylate has a molecular weight of 213.32 g/mol, XLogP of 1.92, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(diethylamino)-3-methylcyclobutane-1-carboxylate is sourced from PubChem (CID 134989315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).