2-[(4-cyclopentyloxyphenyl)methyl-methylamino]acetic acid

C15H21NO3 — CID 98017404

IUPAC2-[(4-cyclopentyloxyphenyl)methyl-methylamino]acetic acid
SMILESCN(CC(=O)O)Cc1ccc(OC2CCCC2)cc1
InChIInChI=1S/C15H21NO3/c1-16(11-15(17)18)10-12-6-8-14(9-7-12)19-13-4-2-3-5-13/h6-9,13H,2-5,10-11H2,1H3,(H,17,18)
InChIKeyJUYBGLZEUWMTEM-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.52
Rot. Bonds6

About 2-[(4-cyclopentyloxyphenyl)methyl-methylamino]acetic acid

2-[(4-cyclopentyloxyphenyl)methyl-methylamino]acetic acid (PubChem CID 98017404) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-[(4-cyclopentyloxyphenyl)methyl-methylamino]acetic acid.

Molecular Properties

Compound Name2-[(4-cyclopentyloxyphenyl)methyl-methylamino]acetic acid
PubChem CID98017404
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name2-[(4-cyclopentyloxyphenyl)methyl-methylamino]acetic acid
SMILESCN(CC(=O)O)Cc1ccc(OC2CCCC2)cc1
InChIInChI=1S/C15H21NO3/c1-16(11-15(17)18)10-12-6-8-14(9-7-12)19-13-4-2-3-5-13/h6-9,13H,2-5,10-11H2,1H3,(H,17,18)
InChIKeyJUYBGLZEUWMTEM-UHFFFAOYSA-N
XLogP2.52
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-ethoxyphenyl)methyl-methylamino]acetic acid
CID 39245612
3-(4-cyclopentyloxyphenyl)-2-oxopropanoic acid
CID 82161370
2-(4-cyclopentyloxyphenyl)acetamide
CID 82493829
2-[(3-cyclopentyloxybenzoyl)-methylamino]acetic acid
CID 119171827
3,4-bis[(4-cyclohexyloxyphenyl)methyl-propylcarbamoyl]cyclobutane-1,2-dicarboxylic acid
CID 19069362
2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetic acid
CID 43386086
2-[(4-cyclopentyloxybenzoyl)-(oxan-4-yl)amino]acetic acid
CID 167903833
1-(4-cyclopentyloxyphenyl)propan-2-ol
CID 80502782
N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-2-[methyl(pyridin-4-ylmethyl)amino]acetamide
CID 131905975
1-cyclopentyloxy-4-[(dimethylsulfamoylamino)methyl]benzene
CID 110781232
2-[(4-ethylsulfonylphenyl)methyl-methylamino]acetic acid
CID 98018398
N-(4-cyclopentyloxyphenyl)-N-methyl-2-(methylamino)acetamide
CID 96678158

Frequently Asked Questions

What is the IUPAC name of 2-[(4-cyclopentyloxyphenyl)methyl-methylamino]acetic acid?
The IUPAC name of 2-[(4-cyclopentyloxyphenyl)methyl-methylamino]acetic acid (CID 98017404) is 2-[(4-cyclopentyloxyphenyl)methyl-methylamino]acetic acid.
What is the SMILES notation for 2-[(4-cyclopentyloxyphenyl)methyl-methylamino]acetic acid?
The canonical SMILES for 2-[(4-cyclopentyloxyphenyl)methyl-methylamino]acetic acid is CN(CC(=O)O)Cc1ccc(OC2CCCC2)cc1.
What is the InChIKey of 2-[(4-cyclopentyloxyphenyl)methyl-methylamino]acetic acid?
The InChIKey is JUYBGLZEUWMTEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-16(11-15(17)18)10-12-6-8-14(9-7-12)19-13-4-2-3-5-13/h6-9,13H,2-5,10-11H2,1H3,(H,17,18).
What are the key properties of 2-[(4-cyclopentyloxyphenyl)methyl-methylamino]acetic acid?
2-[(4-cyclopentyloxyphenyl)methyl-methylamino]acetic acid has a molecular weight of 263.34 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-cyclopentyloxyphenyl)methyl-methylamino]acetic acid is sourced from PubChem (CID 98017404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).