(3R)-1-[2-(2-methoxyethoxy)ethylcarbamoyl]piperidine-3-carboxylic acid

C12H22N2O5 — CID 81119985

IUPAC(3R)-1-[2-(2-methoxyethoxy)ethylcarbamoyl]piperidine-3-carboxylic acid
SMILESCOCCOCCNC(=O)N1CCC[C@@H](C(=O)O)C1
InChIInChI=1S/C12H22N2O5/c1-18-7-8-19-6-4-13-12(17)14-5-2-3-10(9-14)11(15)16/h10H,2-9H2,1H3,(H,13,17)(H,15,16)/t10-/m1/s1
InChIKeyCKXICPDCRIVTIM-SNVBAGLBSA-N
MW274.32 g/mol
LogP0.16
Rot. Bonds7

About (3R)-1-[2-(2-methoxyethoxy)ethylcarbamoyl]piperidine-3-carboxylic acid

(3R)-1-[2-(2-methoxyethoxy)ethylcarbamoyl]piperidine-3-carboxylic acid (PubChem CID 81119985) has the molecular formula C12H22N2O5 and a molecular weight of 274.32 g/mol. Its IUPAC name is (3R)-1-[2-(2-methoxyethoxy)ethylcarbamoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-[2-(2-methoxyethoxy)ethylcarbamoyl]piperidine-3-carboxylic acid
PubChem CID81119985
Molecular FormulaC12H22N2O5
Molecular Weight274.32 g/mol
Exact Mass274.15
IUPAC Name(3R)-1-[2-(2-methoxyethoxy)ethylcarbamoyl]piperidine-3-carboxylic acid
SMILESCOCCOCCNC(=O)N1CCC[C@@H](C(=O)O)C1
InChIInChI=1S/C12H22N2O5/c1-18-7-8-19-6-4-13-12(17)14-5-2-3-10(9-14)11(15)16/h10H,2-9H2,1H3,(H,13,17)(H,15,16)/t10-/m1/s1
InChIKeyCKXICPDCRIVTIM-SNVBAGLBSA-N
XLogP0.16
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(3S)-1-(2-methoxyethylcarbamoyl)piperidine-3-carboxylic acid
CID 28512077
(3S)-1-[2-(3-methylbutoxy)ethylcarbamoyl]piperidine-3-carboxylic acid
CID 81125959
1-(2-phenylmethoxyethylcarbamoyl)piperidine-3-carboxylic acid
CID 122004851
(3R)-1-(2-cyclopentyloxyethylcarbamoyl)piperidine-3-carboxylic acid
CID 81120067
(3S)-1-(2-cyclopentyloxyethylcarbamoyl)piperidine-3-carboxylic acid
CID 81125882
1-[2-(3,5-dimethoxyphenoxy)ethylcarbamoyl]piperidine-3-carboxylic acid
CID 122006872
(3S)-1-(2-acetamidoethylcarbamoyl)piperidine-3-carboxylic acid
CID 81125266
1-[2-[2-(dimethylamino)ethoxy]ethylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 114128644
1-[2-(2-methoxyethoxy)acetyl]piperidine-3-carboxylic acid
CID 43355934
(3R)-1-[2-(2-methoxyethoxy)acetyl]piperidine-3-carboxylic acid
CID 81118783
1-(2-chloroethylcarbamoyl)piperidine-3-carboxylic acid
CID 16769399
(3R)-1-[2-(carbamoylamino)ethylcarbamoyl]piperidine-3-carboxylic acid
CID 83114124

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[2-(2-methoxyethoxy)ethylcarbamoyl]piperidine-3-carboxylic acid?
The IUPAC name of (3R)-1-[2-(2-methoxyethoxy)ethylcarbamoyl]piperidine-3-carboxylic acid (CID 81119985) is (3R)-1-[2-(2-methoxyethoxy)ethylcarbamoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-[2-(2-methoxyethoxy)ethylcarbamoyl]piperidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-[2-(2-methoxyethoxy)ethylcarbamoyl]piperidine-3-carboxylic acid is COCCOCCNC(=O)N1CCC[C@@H](C(=O)O)C1.
What is the InChIKey of (3R)-1-[2-(2-methoxyethoxy)ethylcarbamoyl]piperidine-3-carboxylic acid?
The InChIKey is CKXICPDCRIVTIM-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H22N2O5/c1-18-7-8-19-6-4-13-12(17)14-5-2-3-10(9-14)11(15)16/h10H,2-9H2,1H3,(H,13,17)(H,15,16)/t10-/m1/s1.
What are the key properties of (3R)-1-[2-(2-methoxyethoxy)ethylcarbamoyl]piperidine-3-carboxylic acid?
(3R)-1-[2-(2-methoxyethoxy)ethylcarbamoyl]piperidine-3-carboxylic acid has a molecular weight of 274.32 g/mol, XLogP of 0.16, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[2-(2-methoxyethoxy)ethylcarbamoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 81119985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).