2-[(2-cyclopentyloxyphenyl)methyl-methylamino]propanoic acid

C16H23NO3 — CID 122036930

IUPAC2-[(2-cyclopentyloxyphenyl)methyl-methylamino]propanoic acid
SMILESCC(C(=O)O)N(C)Cc1ccccc1OC1CCCC1
InChIInChI=1S/C16H23NO3/c1-12(16(18)19)17(2)11-13-7-3-6-10-15(13)20-14-8-4-5-9-14/h3,6-7,10,12,14H,4-5,8-9,11H2,1-2H3,(H,18,19)
InChIKeyGNIZVYDFLBIVFA-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.91
Rot. Bonds6

About 2-[(2-cyclopentyloxyphenyl)methyl-methylamino]propanoic acid

2-[(2-cyclopentyloxyphenyl)methyl-methylamino]propanoic acid (PubChem CID 122036930) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 2-[(2-cyclopentyloxyphenyl)methyl-methylamino]propanoic acid.

Molecular Properties

Compound Name2-[(2-cyclopentyloxyphenyl)methyl-methylamino]propanoic acid
PubChem CID122036930
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name2-[(2-cyclopentyloxyphenyl)methyl-methylamino]propanoic acid
SMILESCC(C(=O)O)N(C)Cc1ccccc1OC1CCCC1
InChIInChI=1S/C16H23NO3/c1-12(16(18)19)17(2)11-13-7-3-6-10-15(13)20-14-8-4-5-9-14/h3,6-7,10,12,14H,4-5,8-9,11H2,1-2H3,(H,18,19)
InChIKeyGNIZVYDFLBIVFA-UHFFFAOYSA-N
XLogP2.91
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(5-chloro-2-cyclopentyloxyphenyl)methyl-methylamino]propanoic acid
CID 122036987
(2S)-2-[(2-ethoxyphenyl)methyl-methylamino]propanoic acid
CID 92930759
2-[(2-cyclopentyloxyphenyl)methylamino]propanoic acid
CID 120913321
2-[(2-hydroxyphenyl)methyl-methylamino]propanoic acid
CID 65060241
2-[(2-butoxyphenyl)methyl-methylamino]propanoic acid
CID 122036759
N'-[(2-cyclohexyloxyphenyl)methyl]-N'-methylethane-1,2-diamine
CID 177374490
1-cyclopentyloxy-2-(2-methylpropyl)benzene
CID 142580992
2-[methyl-[(2-methylphenyl)methyl]amino]propanoic acid
CID 61412127
(2R)-2-amino-N-[(2-cyclobutyloxyphenyl)methyl]propanamide
CID 119330644
2-[[(2-cyclopentyloxyphenyl)methylamino]methyl]-4-methylpentanoic acid
CID 122073187
3-[(5-chloro-2-cyclopentyloxyphenyl)methyl-methylamino]-2-methylpropanoic acid
CID 122046921
2-[[1-[(2-cyclopentyloxyphenyl)methyl]piperidin-4-yl]-methylamino]acetic acid
CID 122042861

Frequently Asked Questions

What is the IUPAC name of 2-[(2-cyclopentyloxyphenyl)methyl-methylamino]propanoic acid?
The IUPAC name of 2-[(2-cyclopentyloxyphenyl)methyl-methylamino]propanoic acid (CID 122036930) is 2-[(2-cyclopentyloxyphenyl)methyl-methylamino]propanoic acid.
What is the SMILES notation for 2-[(2-cyclopentyloxyphenyl)methyl-methylamino]propanoic acid?
The canonical SMILES for 2-[(2-cyclopentyloxyphenyl)methyl-methylamino]propanoic acid is CC(C(=O)O)N(C)Cc1ccccc1OC1CCCC1.
What is the InChIKey of 2-[(2-cyclopentyloxyphenyl)methyl-methylamino]propanoic acid?
The InChIKey is GNIZVYDFLBIVFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-12(16(18)19)17(2)11-13-7-3-6-10-15(13)20-14-8-4-5-9-14/h3,6-7,10,12,14H,4-5,8-9,11H2,1-2H3,(H,18,19).
What are the key properties of 2-[(2-cyclopentyloxyphenyl)methyl-methylamino]propanoic acid?
2-[(2-cyclopentyloxyphenyl)methyl-methylamino]propanoic acid has a molecular weight of 277.36 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-cyclopentyloxyphenyl)methyl-methylamino]propanoic acid is sourced from PubChem (CID 122036930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).