(2R)-1-[2-(4-ethylphenoxy)acetyl]piperidine-2-carboxylic acid

C16H21NO4 — CID 79035220

IUPAC(2R)-1-[2-(4-ethylphenoxy)acetyl]piperidine-2-carboxylic acid
SMILESCCc1ccc(OCC(=O)N2CCCC[C@@H]2C(=O)O)cc1
InChIInChI=1S/C16H21NO4/c1-2-12-6-8-13(9-7-12)21-11-15(18)17-10-4-3-5-14(17)16(19)20/h6-9,14H,2-5,10-11H2,1H3,(H,19,20)/t14-/m1/s1
InChIKeyIFTQDODCDXOPEY-CQSZACIVSA-N
MW291.35 g/mol
LogP2.09
Rot. Bonds5

About (2R)-1-[2-(4-ethylphenoxy)acetyl]piperidine-2-carboxylic acid

(2R)-1-[2-(4-ethylphenoxy)acetyl]piperidine-2-carboxylic acid (PubChem CID 79035220) has the molecular formula C16H21NO4 and a molecular weight of 291.35 g/mol. Its IUPAC name is (2R)-1-[2-(4-ethylphenoxy)acetyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-[2-(4-ethylphenoxy)acetyl]piperidine-2-carboxylic acid
PubChem CID79035220
Molecular FormulaC16H21NO4
Molecular Weight291.35 g/mol
Exact Mass291.15
IUPAC Name(2R)-1-[2-(4-ethylphenoxy)acetyl]piperidine-2-carboxylic acid
SMILESCCc1ccc(OCC(=O)N2CCCC[C@@H]2C(=O)O)cc1
InChIInChI=1S/C16H21NO4/c1-2-12-6-8-13(9-7-12)21-11-15(18)17-10-4-3-5-14(17)16(19)20/h6-9,14H,2-5,10-11H2,1H3,(H,19,20)/t14-/m1/s1
InChIKeyIFTQDODCDXOPEY-CQSZACIVSA-N
XLogP2.09
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-[2-(4-ethylphenoxy)acetyl]pyrrolidine-2-carboxylic acid
CID 78922418
1-[2-(4-chlorophenoxy)acetyl]azepane-2-carboxylic acid
CID 64559752
1-[2-(3,4-dimethylphenoxy)acetyl]piperidine-2-carboxylic acid
CID 43092192
(2R)-1-[2-(4-phenylmethoxyphenoxy)acetyl]pyrrolidine-2-carboxylic acid
CID 119370502
(2S)-1-[3-(4-ethylphenyl)propanoyl]pyrrolidine-2-carboxylic acid
CID 61136304
1-[2-(3-methylphenoxy)acetyl]piperidine-2-carboxylic acid
CID 43092194
1-[2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetyl]piperidine-2-carboxylic acid
CID 119137800
1-[2-(aminomethyl)pyrrolidin-1-yl]-2-(4-ethylphenoxy)ethanone
CID 119631366
(2R)-1-[3-(4-methylphenoxy)propanoyl]piperidine-2-carboxylic acid
CID 79035326
(2R)-1-(2-methoxyacetyl)piperidine-2-carboxylic acid
CID 30046872
(2R)-1-[2-[4-(1,3-dithian-2-yl)phenoxy]acetyl]pyrrolidine-2-carboxylic acid
CID 119371261
(2R)-1-[2-(3-methoxyphenoxy)acetyl]pyrrolidine-2-carboxylic acid
CID 39165023

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[2-(4-ethylphenoxy)acetyl]piperidine-2-carboxylic acid?
The IUPAC name of (2R)-1-[2-(4-ethylphenoxy)acetyl]piperidine-2-carboxylic acid (CID 79035220) is (2R)-1-[2-(4-ethylphenoxy)acetyl]piperidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-[2-(4-ethylphenoxy)acetyl]piperidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-[2-(4-ethylphenoxy)acetyl]piperidine-2-carboxylic acid is CCc1ccc(OCC(=O)N2CCCC[C@@H]2C(=O)O)cc1.
What is the InChIKey of (2R)-1-[2-(4-ethylphenoxy)acetyl]piperidine-2-carboxylic acid?
The InChIKey is IFTQDODCDXOPEY-CQSZACIVSA-N. The full InChI is InChI=1S/C16H21NO4/c1-2-12-6-8-13(9-7-12)21-11-15(18)17-10-4-3-5-14(17)16(19)20/h6-9,14H,2-5,10-11H2,1H3,(H,19,20)/t14-/m1/s1.
What are the key properties of (2R)-1-[2-(4-ethylphenoxy)acetyl]piperidine-2-carboxylic acid?
(2R)-1-[2-(4-ethylphenoxy)acetyl]piperidine-2-carboxylic acid has a molecular weight of 291.35 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[2-(4-ethylphenoxy)acetyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 79035220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).