2-[4-[[ethyl(phenylmethoxycarbonyl)amino]methyl]piperidin-1-yl]acetic acid

C18H26N2O4 — CID 66566899

IUPAC2-[4-[[ethyl(phenylmethoxycarbonyl)amino]methyl]piperidin-1-yl]acetic acid
SMILESCCN(CC1CCN(CC(=O)O)CC1)C(=O)OCc1ccccc1
InChIInChI=1S/C18H26N2O4/c1-2-20(18(23)24-14-16-6-4-3-5-7-16)12-15-8-10-19(11-9-15)13-17(21)22/h3-7,15H,2,8-14H2,1H3,(H,21,22)
InChIKeyPRYKGLCUSRKDEX-UHFFFAOYSA-N
MW334.42 g/mol
LogP2.44
Rot. Bonds7

About 2-[4-[[ethyl(phenylmethoxycarbonyl)amino]methyl]piperidin-1-yl]acetic acid

2-[4-[[ethyl(phenylmethoxycarbonyl)amino]methyl]piperidin-1-yl]acetic acid (PubChem CID 66566899) has the molecular formula C18H26N2O4 and a molecular weight of 334.42 g/mol. Its IUPAC name is 2-[4-[[ethyl(phenylmethoxycarbonyl)amino]methyl]piperidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[[ethyl(phenylmethoxycarbonyl)amino]methyl]piperidin-1-yl]acetic acid
PubChem CID66566899
Molecular FormulaC18H26N2O4
Molecular Weight334.42 g/mol
Exact Mass334.19
IUPAC Name2-[4-[[ethyl(phenylmethoxycarbonyl)amino]methyl]piperidin-1-yl]acetic acid
SMILESCCN(CC1CCN(CC(=O)O)CC1)C(=O)OCc1ccccc1
InChIInChI=1S/C18H26N2O4/c1-2-20(18(23)24-14-16-6-4-3-5-7-16)12-15-8-10-19(11-9-15)13-17(21)22/h3-7,15H,2,8-14H2,1H3,(H,21,22)
InChIKeyPRYKGLCUSRKDEX-UHFFFAOYSA-N
XLogP2.44
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[ethyl(phenylmethoxycarbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 138986512
benzyl N-[[1-[(2S)-2-aminopropanoyl]pyrrolidin-3-yl]methyl]-N-ethylcarbamate
CID 66566754
benzyl N-[[1-(2-aminoacetyl)piperidin-3-yl]methyl]-N-ethylcarbamate
CID 66566689
benzyl N-ethyl-N-[[(2R)-oxiran-2-yl]methyl]carbamate
CID 88573099
N-benzyl-2-(4-benzylpiperidin-1-yl)-N-ethylacetamide
CID 108998987
benzyl N-ethyl-N-(piperidin-3-ylmethyl)carbamate
CID 66569373
benzyl N-benzyl-N-ethylcarbamate
CID 70968693
2-[(3R)-3-[methyl(phenylmethoxycarbonyl)amino]piperidin-1-yl]acetic acid
CID 66566879
N-benzyl-N-ethyl-2-[4-(methylaminomethyl)piperidin-1-yl]acetamide;hydrochloride
CID 119922495
benzyl N-[[(3S)-1-[(2S)-2-aminopropanoyl]piperidin-3-yl]methyl]-N-ethylcarbamate
CID 96554011
benzyl N-ethyl-N-[[(2S)-1-(2-hydroxyethyl)pyrrolidin-2-yl]methyl]carbamate
CID 66566494
2-[4-(phenylmethoxycarbonylamino)piperidin-1-yl]acetic acid
CID 66566868

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[ethyl(phenylmethoxycarbonyl)amino]methyl]piperidin-1-yl]acetic acid?
The IUPAC name of 2-[4-[[ethyl(phenylmethoxycarbonyl)amino]methyl]piperidin-1-yl]acetic acid (CID 66566899) is 2-[4-[[ethyl(phenylmethoxycarbonyl)amino]methyl]piperidin-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[[ethyl(phenylmethoxycarbonyl)amino]methyl]piperidin-1-yl]acetic acid?
The canonical SMILES for 2-[4-[[ethyl(phenylmethoxycarbonyl)amino]methyl]piperidin-1-yl]acetic acid is CCN(CC1CCN(CC(=O)O)CC1)C(=O)OCc1ccccc1.
What is the InChIKey of 2-[4-[[ethyl(phenylmethoxycarbonyl)amino]methyl]piperidin-1-yl]acetic acid?
The InChIKey is PRYKGLCUSRKDEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O4/c1-2-20(18(23)24-14-16-6-4-3-5-7-16)12-15-8-10-19(11-9-15)13-17(21)22/h3-7,15H,2,8-14H2,1H3,(H,21,22).
What are the key properties of 2-[4-[[ethyl(phenylmethoxycarbonyl)amino]methyl]piperidin-1-yl]acetic acid?
2-[4-[[ethyl(phenylmethoxycarbonyl)amino]methyl]piperidin-1-yl]acetic acid has a molecular weight of 334.42 g/mol, XLogP of 2.44, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[ethyl(phenylmethoxycarbonyl)amino]methyl]piperidin-1-yl]acetic acid is sourced from PubChem (CID 66566899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).