2-[[1-[(2-cyclopentyloxyphenyl)methyl]piperidin-4-yl]-methylamino]acetic acid

C20H30N2O3 — CID 122042861

IUPAC2-[[1-[(2-cyclopentyloxyphenyl)methyl]piperidin-4-yl]-methylamino]acetic acid
SMILESCN(CC(=O)O)C1CCN(Cc2ccccc2OC2CCCC2)CC1
InChIInChI=1S/C20H30N2O3/c1-21(15-20(23)24)17-10-12-22(13-11-17)14-16-6-2-5-9-19(16)25-18-7-3-4-8-18/h2,5-6,9,17-18H,3-4,7-8,10-15H2,1H3,(H,23,24)
InChIKeyKAFGBFPLVOIPHY-UHFFFAOYSA-N
MW346.47 g/mol
LogP2.99
Rot. Bonds7

About 2-[[1-[(2-cyclopentyloxyphenyl)methyl]piperidin-4-yl]-methylamino]acetic acid

2-[[1-[(2-cyclopentyloxyphenyl)methyl]piperidin-4-yl]-methylamino]acetic acid (PubChem CID 122042861) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is 2-[[1-[(2-cyclopentyloxyphenyl)methyl]piperidin-4-yl]-methylamino]acetic acid.

Molecular Properties

Compound Name2-[[1-[(2-cyclopentyloxyphenyl)methyl]piperidin-4-yl]-methylamino]acetic acid
PubChem CID122042861
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC Name2-[[1-[(2-cyclopentyloxyphenyl)methyl]piperidin-4-yl]-methylamino]acetic acid
SMILESCN(CC(=O)O)C1CCN(Cc2ccccc2OC2CCCC2)CC1
InChIInChI=1S/C20H30N2O3/c1-21(15-20(23)24)17-10-12-22(13-11-17)14-16-6-2-5-9-19(16)25-18-7-3-4-8-18/h2,5-6,9,17-18H,3-4,7-8,10-15H2,1H3,(H,23,24)
InChIKeyKAFGBFPLVOIPHY-UHFFFAOYSA-N
XLogP2.99
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[[1-[(2-cyclopentyloxyphenyl)methyl]piperidin-4-yl]-methylamino]acetic acid with MolForge

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Related Compounds

2-[[4-[(2-cyclopentyloxyphenyl)methyl]morpholin-2-yl]methyl-methylamino]acetic acid
CID 122043587
2-[[1-[(3-methoxy-2-propan-2-yloxyphenyl)methyl]azepan-4-yl]-methylamino]acetic acid
CID 122043452
(4R)-8-[(2-cyclopentyloxyphenyl)methyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 97207663
1-[1-[(2-cyclopentyloxyphenyl)methyl]piperidin-4-yl]pyrrolidin-2-one
CID 126771040
2-[[1-[(5-chloro-2-fluorophenyl)methyl]azepan-4-yl]-methylamino]acetic acid
CID 122043538
2-[[1-[(2-bromo-4-methoxyphenyl)methyl]azepan-4-yl]-methylamino]acetic acid
CID 122043403
2-[methyl-[1-(naphthalen-2-ylmethyl)piperidin-4-yl]amino]acetic acid
CID 122042974
2-[(2-cyclopentyloxyphenyl)methyl-methylamino]propanoic acid
CID 122036930
1-[(2-cyclopentyloxyphenyl)methyl]-4-piperidin-1-ylsulfonyl-1,4-diazepane
CID 131941541
2-[methyl-[1-[(3-phenoxyphenyl)methyl]piperidin-4-yl]amino]acetic acid
CID 122042964
4-cyclopentyloxy-1-[(2-methoxyphenyl)methyl]pyrazole-5-carboxylic acid
CID 117232657
2-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-methylamino]acetic acid
CID 82548263

Frequently Asked Questions

What is the IUPAC name of 2-[[1-[(2-cyclopentyloxyphenyl)methyl]piperidin-4-yl]-methylamino]acetic acid?
The IUPAC name of 2-[[1-[(2-cyclopentyloxyphenyl)methyl]piperidin-4-yl]-methylamino]acetic acid (CID 122042861) is 2-[[1-[(2-cyclopentyloxyphenyl)methyl]piperidin-4-yl]-methylamino]acetic acid.
What is the SMILES notation for 2-[[1-[(2-cyclopentyloxyphenyl)methyl]piperidin-4-yl]-methylamino]acetic acid?
The canonical SMILES for 2-[[1-[(2-cyclopentyloxyphenyl)methyl]piperidin-4-yl]-methylamino]acetic acid is CN(CC(=O)O)C1CCN(Cc2ccccc2OC2CCCC2)CC1.
What is the InChIKey of 2-[[1-[(2-cyclopentyloxyphenyl)methyl]piperidin-4-yl]-methylamino]acetic acid?
The InChIKey is KAFGBFPLVOIPHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O3/c1-21(15-20(23)24)17-10-12-22(13-11-17)14-16-6-2-5-9-19(16)25-18-7-3-4-8-18/h2,5-6,9,17-18H,3-4,7-8,10-15H2,1H3,(H,23,24).
What are the key properties of 2-[[1-[(2-cyclopentyloxyphenyl)methyl]piperidin-4-yl]-methylamino]acetic acid?
2-[[1-[(2-cyclopentyloxyphenyl)methyl]piperidin-4-yl]-methylamino]acetic acid has a molecular weight of 346.47 g/mol, XLogP of 2.99, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[(2-cyclopentyloxyphenyl)methyl]piperidin-4-yl]-methylamino]acetic acid is sourced from PubChem (CID 122042861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).