methyl 2-(diethylamino)-3-ethylcyclobutane-1-carboxylate

C12H23NO2 — CID 134989505

IUPACmethyl 2-(diethylamino)-3-ethylcyclobutane-1-carboxylate
SMILESCCC1CC(C(=O)OC)C1N(CC)CC
InChIInChI=1S/C12H23NO2/c1-5-9-8-10(12(14)15-4)11(9)13(6-2)7-3/h9-11H,5-8H2,1-4H3
InChIKeyQTNFSDGGDFEFNK-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.92
Rot. Bonds5

About methyl 2-(diethylamino)-3-ethylcyclobutane-1-carboxylate

methyl 2-(diethylamino)-3-ethylcyclobutane-1-carboxylate (PubChem CID 134989505) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is methyl 2-(diethylamino)-3-ethylcyclobutane-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-(diethylamino)-3-ethylcyclobutane-1-carboxylate
PubChem CID134989505
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Namemethyl 2-(diethylamino)-3-ethylcyclobutane-1-carboxylate
SMILESCCC1CC(C(=O)OC)C1N(CC)CC
InChIInChI=1S/C12H23NO2/c1-5-9-8-10(12(14)15-4)11(9)13(6-2)7-3/h9-11H,5-8H2,1-4H3
InChIKeyQTNFSDGGDFEFNK-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

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(diethylamino)-3-ethylcyclobutane-1-carboxylate?
The IUPAC name of methyl 2-(diethylamino)-3-ethylcyclobutane-1-carboxylate (CID 134989505) is methyl 2-(diethylamino)-3-ethylcyclobutane-1-carboxylate.
What is the SMILES notation for methyl 2-(diethylamino)-3-ethylcyclobutane-1-carboxylate?
The canonical SMILES for methyl 2-(diethylamino)-3-ethylcyclobutane-1-carboxylate is CCC1CC(C(=O)OC)C1N(CC)CC.
What is the InChIKey of methyl 2-(diethylamino)-3-ethylcyclobutane-1-carboxylate?
The InChIKey is QTNFSDGGDFEFNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-5-9-8-10(12(14)15-4)11(9)13(6-2)7-3/h9-11H,5-8H2,1-4H3.
What are the key properties of methyl 2-(diethylamino)-3-ethylcyclobutane-1-carboxylate?
methyl 2-(diethylamino)-3-ethylcyclobutane-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 methyl 2-(diethylamino)-3-ethylcyclobutane-1-carboxylate is sourced from PubChem (CID 134989505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).