methyl 4-(3-aminocyclobutyl)oxybenzoate

C12H15NO3 — CID 156504136

IUPACmethyl 4-(3-aminocyclobutyl)oxybenzoate
SMILESCOC(=O)c1ccc(OC2CC(N)C2)cc1
InChIInChI=1S/C12H15NO3/c1-15-12(14)8-2-4-10(5-3-8)16-11-6-9(13)7-11/h2-5,9,11H,6-7,13H2,1H3
InChIKeyGJUUWAVTZUOZDP-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.34
Rot. Bonds3

About methyl 4-(3-aminocyclobutyl)oxybenzoate

methyl 4-(3-aminocyclobutyl)oxybenzoate (PubChem CID 156504136) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is methyl 4-(3-aminocyclobutyl)oxybenzoate.

Molecular Properties

Compound Namemethyl 4-(3-aminocyclobutyl)oxybenzoate
PubChem CID156504136
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Namemethyl 4-(3-aminocyclobutyl)oxybenzoate
SMILESCOC(=O)c1ccc(OC2CC(N)C2)cc1
InChIInChI=1S/C12H15NO3/c1-15-12(14)8-2-4-10(5-3-8)16-11-6-9(13)7-11/h2-5,9,11H,6-7,13H2,1H3
InChIKeyGJUUWAVTZUOZDP-UHFFFAOYSA-N
XLogP1.34
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-piperidin-4-yloxybenzoate;hydrochloride
CID 53410621
ethyl 4-(4-aminocyclohexyl)oxybenzoate
CID 16756169
methyl 4-piperidin-3-yloxybenzoate
CID 53410618
methyl 3-(3-aminocyclohexyl)oxybenzoate
CID 117053613
dimethyl benzene-1,4-dicarboxylate;urea
CID 138489958
methyl 4-[1-(2-aminoacetyl)piperidin-4-yl]oxybenzoate;2-methylpropane
CID 142043170
methyl (2R)-2-amino-2,3-dihydro-1H-indene-5-carboxylate
CID 98007137
methyl 4-[1-(adamantane-1-carbonyl)piperidin-4-yl]oxybenzoate
CID 10905377
methyl 4-(4-methoxycarbonylphenoxy)carbothioyloxybenzoate
CID 14022563
methyl 4-[2-(aminomethyl)cyclohexyl]oxybenzoate
CID 117053537
methyl 3-[(3-aminocyclobutyl)amino]-4-chlorobenzoate
CID 80559754
bis(4-methoxycarbonylphenyl) oxalate
CID 70400946

Frequently Asked Questions

What is the IUPAC name of methyl 4-(3-aminocyclobutyl)oxybenzoate?
The IUPAC name of methyl 4-(3-aminocyclobutyl)oxybenzoate (CID 156504136) is methyl 4-(3-aminocyclobutyl)oxybenzoate.
What is the SMILES notation for methyl 4-(3-aminocyclobutyl)oxybenzoate?
The canonical SMILES for methyl 4-(3-aminocyclobutyl)oxybenzoate is COC(=O)c1ccc(OC2CC(N)C2)cc1.
What is the InChIKey of methyl 4-(3-aminocyclobutyl)oxybenzoate?
The InChIKey is GJUUWAVTZUOZDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c1-15-12(14)8-2-4-10(5-3-8)16-11-6-9(13)7-11/h2-5,9,11H,6-7,13H2,1H3.
What are the key properties of methyl 4-(3-aminocyclobutyl)oxybenzoate?
methyl 4-(3-aminocyclobutyl)oxybenzoate has a molecular weight of 221.26 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(3-aminocyclobutyl)oxybenzoate is sourced from PubChem (CID 156504136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).