tert-butyl 2-[(1-methoxycyclobutyl)methylamino]-2-methylpropanoate

C14H27NO3 — CID 138037523

IUPACtert-butyl 2-[(1-methoxycyclobutyl)methylamino]-2-methylpropanoate
SMILESCOC1(CNC(C)(C)C(=O)OC(C)(C)C)CCC1
InChIInChI=1S/C14H27NO3/c1-12(2,3)18-11(16)13(4,5)15-10-14(17-6)8-7-9-14/h15H,7-10H2,1-6H3
InChIKeyJXNFIBICSKEZOO-UHFFFAOYSA-N
MW257.37 g/mol
LogP2.27
Rot. Bonds5

About tert-butyl 2-[(1-methoxycyclobutyl)methylamino]-2-methylpropanoate

tert-butyl 2-[(1-methoxycyclobutyl)methylamino]-2-methylpropanoate (PubChem CID 138037523) has the molecular formula C14H27NO3 and a molecular weight of 257.37 g/mol. Its IUPAC name is tert-butyl 2-[(1-methoxycyclobutyl)methylamino]-2-methylpropanoate.

Molecular Properties

Compound Nametert-butyl 2-[(1-methoxycyclobutyl)methylamino]-2-methylpropanoate
PubChem CID138037523
Molecular FormulaC14H27NO3
Molecular Weight257.37 g/mol
Exact Mass257.20
IUPAC Nametert-butyl 2-[(1-methoxycyclobutyl)methylamino]-2-methylpropanoate
SMILESCOC1(CNC(C)(C)C(=O)OC(C)(C)C)CCC1
InChIInChI=1S/C14H27NO3/c1-12(2,3)18-11(16)13(4,5)15-10-14(17-6)8-7-9-14/h15H,7-10H2,1-6H3
InChIKeyJXNFIBICSKEZOO-UHFFFAOYSA-N
XLogP2.27
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.37
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[(1-methoxycyclobutyl)methylamino]-2-methylpropanoate?
The IUPAC name of tert-butyl 2-[(1-methoxycyclobutyl)methylamino]-2-methylpropanoate (CID 138037523) is tert-butyl 2-[(1-methoxycyclobutyl)methylamino]-2-methylpropanoate.
What is the SMILES notation for tert-butyl 2-[(1-methoxycyclobutyl)methylamino]-2-methylpropanoate?
The canonical SMILES for tert-butyl 2-[(1-methoxycyclobutyl)methylamino]-2-methylpropanoate is COC1(CNC(C)(C)C(=O)OC(C)(C)C)CCC1.
What is the InChIKey of tert-butyl 2-[(1-methoxycyclobutyl)methylamino]-2-methylpropanoate?
The InChIKey is JXNFIBICSKEZOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO3/c1-12(2,3)18-11(16)13(4,5)15-10-14(17-6)8-7-9-14/h15H,7-10H2,1-6H3.
What are the key properties of tert-butyl 2-[(1-methoxycyclobutyl)methylamino]-2-methylpropanoate?
tert-butyl 2-[(1-methoxycyclobutyl)methylamino]-2-methylpropanoate has a molecular weight of 257.37 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[(1-methoxycyclobutyl)methylamino]-2-methylpropanoate is sourced from PubChem (CID 138037523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).