2-[4-[[(1-methylcyclobutyl)methylamino]methyl]phenyl]acetic acid

C15H21NO2 — CID 114108521

IUPAC2-[4-[[(1-methylcyclobutyl)methylamino]methyl]phenyl]acetic acid
SMILESCC1(CNCc2ccc(CC(=O)O)cc2)CCC1
InChIInChI=1S/C15H21NO2/c1-15(7-2-8-15)11-16-10-13-5-3-12(4-6-13)9-14(17)18/h3-6,16H,2,7-11H2,1H3,(H,17,18)
InChIKeyRVANPGRUZKROHO-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.59
Rot. Bonds6

About 2-[4-[[(1-methylcyclobutyl)methylamino]methyl]phenyl]acetic acid

2-[4-[[(1-methylcyclobutyl)methylamino]methyl]phenyl]acetic acid (PubChem CID 114108521) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-[4-[[(1-methylcyclobutyl)methylamino]methyl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[[(1-methylcyclobutyl)methylamino]methyl]phenyl]acetic acid
PubChem CID114108521
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name2-[4-[[(1-methylcyclobutyl)methylamino]methyl]phenyl]acetic acid
SMILESCC1(CNCc2ccc(CC(=O)O)cc2)CCC1
InChIInChI=1S/C15H21NO2/c1-15(7-2-8-15)11-16-10-13-5-3-12(4-6-13)9-14(17)18/h3-6,16H,2,7-11H2,1H3,(H,17,18)
InChIKeyRVANPGRUZKROHO-UHFFFAOYSA-N
XLogP2.59
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[[(1-methylcyclobutyl)methylamino]methyl]phenyl]acetamide
CID 103735819
N-[(1-methylcyclobutyl)methyl]-1-phenylmethanamine
CID 103735802
2-[4-[[(4-hydroxyoxan-4-yl)methylamino]methyl]phenyl]acetic acid
CID 103257030
methyl 4-[[(1-methylcyclopropyl)methylamino]methyl]benzoate
CID 103923526
1-(4-cyclopropylphenyl)-N-[(1-methylcyclopentyl)methyl]methanamine
CID 79984608
1-(4-fluorophenyl)-N-[(1-methylcyclopropyl)methyl]methanamine
CID 103724392
2-[4-(propylaminomethyl)phenyl]acetic acid
CID 103235096
1-(4-ethoxyphenyl)-N-[(1-methylcyclopentyl)methyl]methanamine
CID 63822889
2-[4-[[(4-hydroxyphenyl)methylamino]methyl]phenyl]acetic acid
CID 103268485
2-[4-[[(3,3-dimethyl-2H-1-benzofuran-6-yl)methylamino]methyl]phenyl]acetic acid
CID 166265918
2-[[(1-methylcyclobutyl)methylamino]methyl]phenol;hydrochloride
CID 115680456
2-[4-[(3-aminopropylamino)methyl]phenyl]acetic acid
CID 103248106

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[(1-methylcyclobutyl)methylamino]methyl]phenyl]acetic acid?
The IUPAC name of 2-[4-[[(1-methylcyclobutyl)methylamino]methyl]phenyl]acetic acid (CID 114108521) is 2-[4-[[(1-methylcyclobutyl)methylamino]methyl]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[[(1-methylcyclobutyl)methylamino]methyl]phenyl]acetic acid?
The canonical SMILES for 2-[4-[[(1-methylcyclobutyl)methylamino]methyl]phenyl]acetic acid is CC1(CNCc2ccc(CC(=O)O)cc2)CCC1.
What is the InChIKey of 2-[4-[[(1-methylcyclobutyl)methylamino]methyl]phenyl]acetic acid?
The InChIKey is RVANPGRUZKROHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-15(7-2-8-15)11-16-10-13-5-3-12(4-6-13)9-14(17)18/h3-6,16H,2,7-11H2,1H3,(H,17,18).
What are the key properties of 2-[4-[[(1-methylcyclobutyl)methylamino]methyl]phenyl]acetic acid?
2-[4-[[(1-methylcyclobutyl)methylamino]methyl]phenyl]acetic acid has a molecular weight of 247.34 g/mol, XLogP of 2.59, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[(1-methylcyclobutyl)methylamino]methyl]phenyl]acetic acid is sourced from PubChem (CID 114108521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).