2-[2-[[1-(aminomethyl)cyclobutyl]methoxy]phenyl]acetic acid

C14H19NO3 — CID 117094828

IUPAC2-[2-[[1-(aminomethyl)cyclobutyl]methoxy]phenyl]acetic acid
SMILESNCC1(COc2ccccc2CC(=O)O)CCC1
InChIInChI=1S/C14H19NO3/c15-9-14(6-3-7-14)10-18-12-5-2-1-4-11(12)8-13(16)17/h1-2,4-5H,3,6-10,15H2,(H,16,17)
InChIKeyXBLPFFQXVMQJPZ-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.82
Rot. Bonds6

About 2-[2-[[1-(aminomethyl)cyclobutyl]methoxy]phenyl]acetic acid

2-[2-[[1-(aminomethyl)cyclobutyl]methoxy]phenyl]acetic acid (PubChem CID 117094828) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-[2-[[1-(aminomethyl)cyclobutyl]methoxy]phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-[[1-(aminomethyl)cyclobutyl]methoxy]phenyl]acetic acid
PubChem CID117094828
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name2-[2-[[1-(aminomethyl)cyclobutyl]methoxy]phenyl]acetic acid
SMILESNCC1(COc2ccccc2CC(=O)O)CCC1
InChIInChI=1S/C14H19NO3/c15-9-14(6-3-7-14)10-18-12-5-2-1-4-11(12)8-13(16)17/h1-2,4-5H,3,6-10,15H2,(H,16,17)
InChIKeyXBLPFFQXVMQJPZ-UHFFFAOYSA-N
XLogP1.82
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[(2-bromophenoxy)methyl]cyclopentyl]methanamine
CID 82134815
3-amino-4-[[1-(aminomethyl)cyclobutyl]methoxy]benzoic acid
CID 117095851
2-[2-[[(2S)-2-methyloxiran-2-yl]methoxy]phenyl]acetic acid
CID 87485339
[1-[(2,3-dichlorophenoxy)methyl]cyclopentyl]methanamine
CID 94698292
2-[2-(4-phenoxybutoxy)phenyl]acetic acid
CID 154276164
2-[1-(aminomethyl)cyclobutyl]-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 106260828
2-[[1-(bromomethyl)cycloheptyl]methoxy]benzamide
CID 65009957
methyl 2-[4-[[1-(aminomethyl)cyclobutyl]methoxy]phenyl]acetate
CID 117095002
2-[2-[2-(carboxymethyl)phenoxy]phenyl]acetic acid
CID 14801619
[1-(phenoxymethyl)cyclopropyl]methanamine;hydrochloride
CID 170900192
2-[2-(cyclohexylmethoxy)phenyl]acetic acid
CID 11974933
2-[2-(3-hydroxypropoxy)phenyl]acetic acid
CID 80742548

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[1-(aminomethyl)cyclobutyl]methoxy]phenyl]acetic acid?
The IUPAC name of 2-[2-[[1-(aminomethyl)cyclobutyl]methoxy]phenyl]acetic acid (CID 117094828) is 2-[2-[[1-(aminomethyl)cyclobutyl]methoxy]phenyl]acetic acid.
What is the SMILES notation for 2-[2-[[1-(aminomethyl)cyclobutyl]methoxy]phenyl]acetic acid?
The canonical SMILES for 2-[2-[[1-(aminomethyl)cyclobutyl]methoxy]phenyl]acetic acid is NCC1(COc2ccccc2CC(=O)O)CCC1.
What is the InChIKey of 2-[2-[[1-(aminomethyl)cyclobutyl]methoxy]phenyl]acetic acid?
The InChIKey is XBLPFFQXVMQJPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c15-9-14(6-3-7-14)10-18-12-5-2-1-4-11(12)8-13(16)17/h1-2,4-5H,3,6-10,15H2,(H,16,17).
What are the key properties of 2-[2-[[1-(aminomethyl)cyclobutyl]methoxy]phenyl]acetic acid?
2-[2-[[1-(aminomethyl)cyclobutyl]methoxy]phenyl]acetic acid has a molecular weight of 249.31 g/mol, XLogP of 1.82, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[1-(aminomethyl)cyclobutyl]methoxy]phenyl]acetic acid is sourced from PubChem (CID 117094828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).