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

C11H21NO2 — CID 85290785

IUPACmethyl 2-(diethylamino)-3-methylcyclobutane-1-carboxylate
SMILESCCN(CC)C1C(C)CC1C(=O)OC
InChIInChI=1S/C11H21NO2/c1-5-12(6-2)10-8(3)7-9(10)11(13)14-4/h8-10H,5-7H2,1-4H3
InChIKeyDGLIMSQTJUWYSB-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.53
Rot. Bonds4

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

methyl 2-(diethylamino)-3-methylcyclobutane-1-carboxylate (PubChem CID 85290785) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is methyl 2-(diethylamino)-3-methylcyclobutane-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-(diethylamino)-3-methylcyclobutane-1-carboxylate
PubChem CID85290785
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Namemethyl 2-(diethylamino)-3-methylcyclobutane-1-carboxylate
SMILESCCN(CC)C1C(C)CC1C(=O)OC
InChIInChI=1S/C11H21NO2/c1-5-12(6-2)10-8(3)7-9(10)11(13)14-4/h8-10H,5-7H2,1-4H3
InChIKeyDGLIMSQTJUWYSB-UHFFFAOYSA-N
XLogP1.53
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.53
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-methylcyclobutane-1-carboxylate?
The IUPAC name of methyl 2-(diethylamino)-3-methylcyclobutane-1-carboxylate (CID 85290785) is methyl 2-(diethylamino)-3-methylcyclobutane-1-carboxylate.
What is the SMILES notation for methyl 2-(diethylamino)-3-methylcyclobutane-1-carboxylate?
The canonical SMILES for methyl 2-(diethylamino)-3-methylcyclobutane-1-carboxylate is CCN(CC)C1C(C)CC1C(=O)OC.
What is the InChIKey of methyl 2-(diethylamino)-3-methylcyclobutane-1-carboxylate?
The InChIKey is DGLIMSQTJUWYSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-5-12(6-2)10-8(3)7-9(10)11(13)14-4/h8-10H,5-7H2,1-4H3.
What are the key properties of methyl 2-(diethylamino)-3-methylcyclobutane-1-carboxylate?
methyl 2-(diethylamino)-3-methylcyclobutane-1-carboxylate has a molecular weight of 199.29 g/mol, XLogP of 1.53, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(diethylamino)-3-methylcyclobutane-1-carboxylate is sourced from PubChem (CID 85290785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).