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

C11H19NO5 — CID 81118783

IUPAC(3R)-1-[2-(2-methoxyethoxy)acetyl]piperidine-3-carboxylic acid
SMILESCOCCOCC(=O)N1CCC[C@@H](C(=O)O)C1
InChIInChI=1S/C11H19NO5/c1-16-5-6-17-8-10(13)12-4-2-3-9(7-12)11(14)15/h9H,2-8H2,1H3,(H,14,15)/t9-/m1/s1
InChIKeyDAQJGAUJRVTRJX-SECBINFHSA-N
MW245.27 g/mol
LogP-0.03
Rot. Bonds6

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

(3R)-1-[2-(2-methoxyethoxy)acetyl]piperidine-3-carboxylic acid (PubChem CID 81118783) has the molecular formula C11H19NO5 and a molecular weight of 245.27 g/mol. Its IUPAC name is (3R)-1-[2-(2-methoxyethoxy)acetyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-[2-(2-methoxyethoxy)acetyl]piperidine-3-carboxylic acid
PubChem CID81118783
Molecular FormulaC11H19NO5
Molecular Weight245.27 g/mol
Exact Mass245.13
IUPAC Name(3R)-1-[2-(2-methoxyethoxy)acetyl]piperidine-3-carboxylic acid
SMILESCOCCOCC(=O)N1CCC[C@@H](C(=O)O)C1
InChIInChI=1S/C11H19NO5/c1-16-5-6-17-8-10(13)12-4-2-3-9(7-12)11(14)15/h9H,2-8H2,1H3,(H,14,15)/t9-/m1/s1
InChIKeyDAQJGAUJRVTRJX-SECBINFHSA-N
XLogP-0.03
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.27
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(2-methoxyethoxy)acetyl]piperidine-3-carboxylic acid
CID 43355934
1-(2-butoxyacetyl)piperidine-3-carboxylic acid
CID 119167446
1-(azepan-1-yl)-2-(2-methoxyethoxy)ethanone
CID 60716245
1-(azocan-1-yl)-2-(2-methoxyethoxy)ethanone
CID 103601645
1-(5-methoxypentanoyl)piperidine-3-carboxylic acid
CID 119167281
(3R)-1-[2-(2-methoxyethoxy)ethylcarbamoyl]piperidine-3-carboxylic acid
CID 81119985
1-[2-[3-(2-methoxyethoxy)propoxy]acetyl]piperidine-4-carboxylic acid
CID 103400775
2-(2-methoxyethoxy)-1-[3-(methylaminomethyl)piperidin-1-yl]ethanone
CID 113265212
1-[4-(3-carboxypiperidin-1-yl)-4-oxobutanoyl]piperidine-3-carboxylic acid
CID 57094658
(3S)-1-(2-methoxyethylcarbamoyl)piperidine-3-carboxylic acid
CID 28512077
1-(3-methoxypropanoyl)pyrrolidine-3-carboxylic acid
CID 63030606
1-(2-amino-4-methoxybutanoyl)piperidine-3-carboxylic acid
CID 62475203

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[2-(2-methoxyethoxy)acetyl]piperidine-3-carboxylic acid?
The IUPAC name of (3R)-1-[2-(2-methoxyethoxy)acetyl]piperidine-3-carboxylic acid (CID 81118783) is (3R)-1-[2-(2-methoxyethoxy)acetyl]piperidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-[2-(2-methoxyethoxy)acetyl]piperidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-[2-(2-methoxyethoxy)acetyl]piperidine-3-carboxylic acid is COCCOCC(=O)N1CCC[C@@H](C(=O)O)C1.
What is the InChIKey of (3R)-1-[2-(2-methoxyethoxy)acetyl]piperidine-3-carboxylic acid?
The InChIKey is DAQJGAUJRVTRJX-SECBINFHSA-N. The full InChI is InChI=1S/C11H19NO5/c1-16-5-6-17-8-10(13)12-4-2-3-9(7-12)11(14)15/h9H,2-8H2,1H3,(H,14,15)/t9-/m1/s1.
What are the key properties of (3R)-1-[2-(2-methoxyethoxy)acetyl]piperidine-3-carboxylic acid?
(3R)-1-[2-(2-methoxyethoxy)acetyl]piperidine-3-carboxylic acid has a molecular weight of 245.27 g/mol, XLogP of -0.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[2-(2-methoxyethoxy)acetyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 81118783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).