methyl 1-(1-aminoethyl)cyclobutane-1-carboxylate

C8H15NO2 — CID 115012255

IUPACmethyl 1-(1-aminoethyl)cyclobutane-1-carboxylate
SMILESCOC(=O)C1(C(C)N)CCC1
InChIInChI=1S/C8H15NO2/c1-6(9)8(4-3-5-8)7(10)11-2/h6H,3-5,9H2,1-2H3
InChIKeyVPVMDUFMUOCPAO-UHFFFAOYSA-N
MW157.21 g/mol
LogP0.68
Rot. Bonds2

About methyl 1-(1-aminoethyl)cyclobutane-1-carboxylate

methyl 1-(1-aminoethyl)cyclobutane-1-carboxylate (PubChem CID 115012255) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is methyl 1-(1-aminoethyl)cyclobutane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-(1-aminoethyl)cyclobutane-1-carboxylate
PubChem CID115012255
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Namemethyl 1-(1-aminoethyl)cyclobutane-1-carboxylate
SMILESCOC(=O)C1(C(C)N)CCC1
InChIInChI=1S/C8H15NO2/c1-6(9)8(4-3-5-8)7(10)11-2/h6H,3-5,9H2,1-2H3
InChIKeyVPVMDUFMUOCPAO-UHFFFAOYSA-N
XLogP0.68
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 1-propan-2-ylcyclopropane-1-carboxylate
CID 59734384
methyl 1-(difluoromethyl)cyclopentane-1-carboxylate
CID 130648445
methyl 1-(1-amino-3-methylbutyl)cyclopropane-1-carboxylate
CID 115016947
methyl 1-(propan-2-ylamino)cyclobutane-1-carboxylate
CID 62389126
methyl 1-(1-amino-2,2,2-trifluoroethyl)cyclopropane-1-carboxylate
CID 115020911
methyl 1-[amino-(2-fluorophenyl)methyl]cyclobutane-1-carboxylate
CID 116944325
methyl 2-propan-2-yl-1-oxaspiro[2.5]octane-2-carboxylate
CID 79298854
methyl 1-[amino(1,3-benzodioxol-5-yl)methyl]cyclobutane-1-carboxylate
CID 116944302
methyl 1-[amino-(5-bromo-2-methylphenyl)methyl]cyclobutane-1-carboxylate
CID 116944322
methyl 1-[amino-(5-bromo-2-fluorophenyl)methyl]cyclobutane-1-carboxylate
CID 116944321
methyl 2-(2-methylpropyl)-1-oxaspiro[2.5]octane-2-carboxylate
CID 165444419
dimethyl 1-methyl-3-propan-2-ylcyclopentane-1,3-dicarboxylate
CID 91799029

Frequently Asked Questions

What is the IUPAC name of methyl 1-(1-aminoethyl)cyclobutane-1-carboxylate?
The IUPAC name of methyl 1-(1-aminoethyl)cyclobutane-1-carboxylate (CID 115012255) is methyl 1-(1-aminoethyl)cyclobutane-1-carboxylate.
What is the SMILES notation for methyl 1-(1-aminoethyl)cyclobutane-1-carboxylate?
The canonical SMILES for methyl 1-(1-aminoethyl)cyclobutane-1-carboxylate is COC(=O)C1(C(C)N)CCC1.
What is the InChIKey of methyl 1-(1-aminoethyl)cyclobutane-1-carboxylate?
The InChIKey is VPVMDUFMUOCPAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-6(9)8(4-3-5-8)7(10)11-2/h6H,3-5,9H2,1-2H3.
What are the key properties of methyl 1-(1-aminoethyl)cyclobutane-1-carboxylate?
methyl 1-(1-aminoethyl)cyclobutane-1-carboxylate has a molecular weight of 157.21 g/mol, XLogP of 0.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(1-aminoethyl)cyclobutane-1-carboxylate is sourced from PubChem (CID 115012255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).