methyl 3-ethoxy-1-(propan-2-ylamino)cyclobutane-1-carboxylate

C11H21NO3 — CID 106822542

IUPACmethyl 3-ethoxy-1-(propan-2-ylamino)cyclobutane-1-carboxylate
SMILESCCOC1CC(NC(C)C)(C(=O)OC)C1
InChIInChI=1S/C11H21NO3/c1-5-15-9-6-11(7-9,10(13)14-4)12-8(2)3/h8-9,12H,5-7H2,1-4H3
InChIKeyUPYJNEKILVOFML-UHFFFAOYSA-N
MW215.29 g/mol
LogP1.10
Rot. Bonds5

About methyl 3-ethoxy-1-(propan-2-ylamino)cyclobutane-1-carboxylate

methyl 3-ethoxy-1-(propan-2-ylamino)cyclobutane-1-carboxylate (PubChem CID 106822542) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is methyl 3-ethoxy-1-(propan-2-ylamino)cyclobutane-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-ethoxy-1-(propan-2-ylamino)cyclobutane-1-carboxylate
PubChem CID106822542
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Namemethyl 3-ethoxy-1-(propan-2-ylamino)cyclobutane-1-carboxylate
SMILESCCOC1CC(NC(C)C)(C(=O)OC)C1
InChIInChI=1S/C11H21NO3/c1-5-15-9-6-11(7-9,10(13)14-4)12-8(2)3/h8-9,12H,5-7H2,1-4H3
InChIKeyUPYJNEKILVOFML-UHFFFAOYSA-N
XLogP1.10
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethoxy-1-(propan-2-ylamino)cyclobutane-1-carboxylic acid
CID 106822538
methyl 1-(butan-2-ylamino)-3-methoxycyclobutane-1-carboxylate
CID 106822708
methyl 3-pentoxy-1-(propan-2-ylamino)cyclopentane-1-carboxylate
CID 79648776
methyl 3-(1-ethoxypropan-2-yloxy)-1-(propan-2-ylamino)cyclohexane-1-carboxylate
CID 103489804
methyl 3-(cyclohexylmethoxy)-1-(propan-2-ylamino)cyclopentane-1-carboxylate
CID 79644429
methyl 1-(propan-2-ylamino)cyclobutane-1-carboxylate
CID 62389126
methyl 3-(2-cyclobutylethoxy)-1-(propan-2-ylamino)cyclohexane-1-carboxylate
CID 106204585
ethyl 3-(2-methoxyethoxy)-1-(propan-2-ylamino)cyclohexane-1-carboxylate
CID 79638229
3-ethoxy-1-(propan-2-ylamino)cyclobutane-1-carbonitrile
CID 106822385
methyl 1,5-dimethyl-3-(propan-2-ylamino)pyrrolidine-3-carboxylate
CID 81467607
methyl 3-[ethyl(methyl)amino]-1-(propan-2-ylamino)cyclohexane-1-carboxylate
CID 79635983
methyl 3-[methyl(propyl)amino]-1-(propan-2-ylamino)cyclopentane-1-carboxylate
CID 79649647

Frequently Asked Questions

What is the IUPAC name of methyl 3-ethoxy-1-(propan-2-ylamino)cyclobutane-1-carboxylate?
The IUPAC name of methyl 3-ethoxy-1-(propan-2-ylamino)cyclobutane-1-carboxylate (CID 106822542) is methyl 3-ethoxy-1-(propan-2-ylamino)cyclobutane-1-carboxylate.
What is the SMILES notation for methyl 3-ethoxy-1-(propan-2-ylamino)cyclobutane-1-carboxylate?
The canonical SMILES for methyl 3-ethoxy-1-(propan-2-ylamino)cyclobutane-1-carboxylate is CCOC1CC(NC(C)C)(C(=O)OC)C1.
What is the InChIKey of methyl 3-ethoxy-1-(propan-2-ylamino)cyclobutane-1-carboxylate?
The InChIKey is UPYJNEKILVOFML-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-5-15-9-6-11(7-9,10(13)14-4)12-8(2)3/h8-9,12H,5-7H2,1-4H3.
What are the key properties of methyl 3-ethoxy-1-(propan-2-ylamino)cyclobutane-1-carboxylate?
methyl 3-ethoxy-1-(propan-2-ylamino)cyclobutane-1-carboxylate has a molecular weight of 215.29 g/mol, XLogP of 1.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-ethoxy-1-(propan-2-ylamino)cyclobutane-1-carboxylate is sourced from PubChem (CID 106822542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).