methyl 2-[1-(aminomethyl)cyclobutyl]acetate

C8H15NO2 — CID 81160952

IUPACmethyl 2-[1-(aminomethyl)cyclobutyl]acetate
SMILESCOC(=O)CC1(CN)CCC1
InChIInChI=1S/C8H15NO2/c1-11-7(10)5-8(6-9)3-2-4-8/h2-6,9H2,1H3
InChIKeyBEZLONWJVKMIOY-UHFFFAOYSA-N
MW157.21 g/mol
LogP0.68
Rot. Bonds3

About methyl 2-[1-(aminomethyl)cyclobutyl]acetate

methyl 2-[1-(aminomethyl)cyclobutyl]acetate (PubChem CID 81160952) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is methyl 2-[1-(aminomethyl)cyclobutyl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-(aminomethyl)cyclobutyl]acetate
PubChem CID81160952
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Namemethyl 2-[1-(aminomethyl)cyclobutyl]acetate
SMILESCOC(=O)CC1(CN)CCC1
InChIInChI=1S/C8H15NO2/c1-11-7(10)5-8(6-9)3-2-4-8/h2-6,9H2,1H3
InChIKeyBEZLONWJVKMIOY-UHFFFAOYSA-N
XLogP0.68
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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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Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-(aminomethyl)cyclobutyl]acetate?
The IUPAC name of methyl 2-[1-(aminomethyl)cyclobutyl]acetate (CID 81160952) is methyl 2-[1-(aminomethyl)cyclobutyl]acetate.
What is the SMILES notation for methyl 2-[1-(aminomethyl)cyclobutyl]acetate?
The canonical SMILES for methyl 2-[1-(aminomethyl)cyclobutyl]acetate is COC(=O)CC1(CN)CCC1.
What is the InChIKey of methyl 2-[1-(aminomethyl)cyclobutyl]acetate?
The InChIKey is BEZLONWJVKMIOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-11-7(10)5-8(6-9)3-2-4-8/h2-6,9H2,1H3.
What are the key properties of methyl 2-[1-(aminomethyl)cyclobutyl]acetate?
methyl 2-[1-(aminomethyl)cyclobutyl]acetate has a molecular weight of 157.21 g/mol, XLogP of 0.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-(aminomethyl)cyclobutyl]acetate is sourced from PubChem (CID 81160952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).