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

C11H19NO2 — CID 81162285

IUPACcyclobutyl 2-[1-(aminomethyl)cyclobutyl]acetate
SMILESNCC1(CC(=O)OC2CCC2)CCC1
InChIInChI=1S/C11H19NO2/c12-8-11(5-2-6-11)7-10(13)14-9-3-1-4-9/h9H,1-8,12H2
InChIKeyBZBZDRRUALIILY-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.60
Rot. Bonds4

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

cyclobutyl 2-[1-(aminomethyl)cyclobutyl]acetate (PubChem CID 81162285) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is cyclobutyl 2-[1-(aminomethyl)cyclobutyl]acetate.

Molecular Properties

Compound Namecyclobutyl 2-[1-(aminomethyl)cyclobutyl]acetate
PubChem CID81162285
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Namecyclobutyl 2-[1-(aminomethyl)cyclobutyl]acetate
SMILESNCC1(CC(=O)OC2CCC2)CCC1
InChIInChI=1S/C11H19NO2/c12-8-11(5-2-6-11)7-10(13)14-9-3-1-4-9/h9H,1-8,12H2
InChIKeyBZBZDRRUALIILY-UHFFFAOYSA-N
XLogP1.60
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Methyl 2-(1-(aminomethyl)cyclobutyl)acetate hydrochloride
CID 155820590
Methyl 2-[1-(aminomethyl)cyclobutyl]acetate
CID 81160952
Ethyl 2-[1-(aminomethyl)cyclobutyl]acetate
CID 81161037
Tert-butyl 2-[3-(aminomethyl)-1-bicyclo[1.1.1]pentanyl]acetate
CID 167164149
Cyclobutyl 2-[1-(aminomethyl)cyclohexyl]acetate
CID 62217419
Cyclobutyl 4-(2-aminoethyl)-5,5-dimethylhexanoate
CID 64357608
Cyclobutyl 6-amino-4,4-dimethylhexanoate
CID 65284984
Propan-2-yl 6-amino-4,4-dimethylhexanoate
CID 65285173
Butan-2-yl 6-amino-4,4-dimethylhexanoate
CID 65285275
Cyclobutyl 3-(aminomethyl)-5-methylhexanoate
CID 65524612
cyclobutyl (3S)-3-(aminomethyl)-5-methylhexanoate
CID 65524613
(4-Methylcyclohexyl) 2-[1-(aminomethyl)cyclobutyl]acetate
CID 81160953

Frequently Asked Questions

What is the IUPAC name of cyclobutyl 2-[1-(aminomethyl)cyclobutyl]acetate?
The IUPAC name of cyclobutyl 2-[1-(aminomethyl)cyclobutyl]acetate (CID 81162285) is cyclobutyl 2-[1-(aminomethyl)cyclobutyl]acetate.
What is the SMILES notation for cyclobutyl 2-[1-(aminomethyl)cyclobutyl]acetate?
The canonical SMILES for cyclobutyl 2-[1-(aminomethyl)cyclobutyl]acetate is NCC1(CC(=O)OC2CCC2)CCC1.
What is the InChIKey of cyclobutyl 2-[1-(aminomethyl)cyclobutyl]acetate?
The InChIKey is BZBZDRRUALIILY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c12-8-11(5-2-6-11)7-10(13)14-9-3-1-4-9/h9H,1-8,12H2.
What are the key properties of cyclobutyl 2-[1-(aminomethyl)cyclobutyl]acetate?
cyclobutyl 2-[1-(aminomethyl)cyclobutyl]acetate has a molecular weight of 197.28 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl 2-[1-(aminomethyl)cyclobutyl]acetate is sourced from PubChem (CID 81162285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).