methyl 2-[4-[[1-(aminomethyl)cyclobutyl]methoxy]phenyl]acetate

C15H21NO3 — CID 117095002

IUPACmethyl 2-[4-[[1-(aminomethyl)cyclobutyl]methoxy]phenyl]acetate
SMILESCOC(=O)Cc1ccc(OCC2(CN)CCC2)cc1
InChIInChI=1S/C15H21NO3/c1-18-14(17)9-12-3-5-13(6-4-12)19-11-15(10-16)7-2-8-15/h3-6H,2,7-11,16H2,1H3
InChIKeyVOCBBXLHMXPGAK-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.91
Rot. Bonds6

About methyl 2-[4-[[1-(aminomethyl)cyclobutyl]methoxy]phenyl]acetate

methyl 2-[4-[[1-(aminomethyl)cyclobutyl]methoxy]phenyl]acetate (PubChem CID 117095002) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is methyl 2-[4-[[1-(aminomethyl)cyclobutyl]methoxy]phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-[[1-(aminomethyl)cyclobutyl]methoxy]phenyl]acetate
PubChem CID117095002
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Namemethyl 2-[4-[[1-(aminomethyl)cyclobutyl]methoxy]phenyl]acetate
SMILESCOC(=O)Cc1ccc(OCC2(CN)CCC2)cc1
InChIInChI=1S/C15H21NO3/c1-18-14(17)9-12-3-5-13(6-4-12)19-11-15(10-16)7-2-8-15/h3-6H,2,7-11,16H2,1H3
InChIKeyVOCBBXLHMXPGAK-UHFFFAOYSA-N
XLogP1.91
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[(4-methoxyphenoxy)methyl]cyclobutyl]methanamine
CID 84686797
methyl 2-[4-[[3-(hydroxymethyl)oxetan-3-yl]methoxy]phenyl]acetate
CID 71854632
[1-[(4-methoxyphenoxy)methyl]cyclopentyl]methanamine
CID 94686563
1-[4-[[1-(bromomethyl)cyclobutyl]methoxy]phenyl]propan-2-one
CID 115494528
methyl 2-[4-[(2R)-2-aminopropoxy]phenyl]acetate
CID 22867083
4-[[1-(aminomethyl)cyclopropyl]methoxy]phenol
CID 84664886
N-[1-(aminomethyl)cyclopentyl]-2-(4-ethoxyphenyl)acetamide;hydrochloride
CID 119564832
methyl 2-(4-phenylmethoxyphenyl)acetate
CID 2756645
methyl 2-[4-[2-(tert-butylamino)-2-oxoethoxy]phenyl]acetate
CID 47096345
2-[2-[[1-(aminomethyl)cyclobutyl]methoxy]phenyl]acetic acid
CID 117094828
N-[[1-(aminomethyl)cyclobutyl]methyl]-2-(4-chlorophenyl)acetamide
CID 115267473
[1-(pyridin-4-yloxymethyl)cyclohexyl]methanamine
CID 117051362

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[[1-(aminomethyl)cyclobutyl]methoxy]phenyl]acetate?
The IUPAC name of methyl 2-[4-[[1-(aminomethyl)cyclobutyl]methoxy]phenyl]acetate (CID 117095002) is methyl 2-[4-[[1-(aminomethyl)cyclobutyl]methoxy]phenyl]acetate.
What is the SMILES notation for methyl 2-[4-[[1-(aminomethyl)cyclobutyl]methoxy]phenyl]acetate?
The canonical SMILES for methyl 2-[4-[[1-(aminomethyl)cyclobutyl]methoxy]phenyl]acetate is COC(=O)Cc1ccc(OCC2(CN)CCC2)cc1.
What is the InChIKey of methyl 2-[4-[[1-(aminomethyl)cyclobutyl]methoxy]phenyl]acetate?
The InChIKey is VOCBBXLHMXPGAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-18-14(17)9-12-3-5-13(6-4-12)19-11-15(10-16)7-2-8-15/h3-6H,2,7-11,16H2,1H3.
What are the key properties of methyl 2-[4-[[1-(aminomethyl)cyclobutyl]methoxy]phenyl]acetate?
methyl 2-[4-[[1-(aminomethyl)cyclobutyl]methoxy]phenyl]acetate has a molecular weight of 263.34 g/mol, XLogP of 1.91, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[[1-(aminomethyl)cyclobutyl]methoxy]phenyl]acetate is sourced from PubChem (CID 117095002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).