1-[2-(2-ethoxyethoxy)propanoyl]piperidine-3-carboxylic acid

C13H23NO5 — CID 119167924

IUPAC1-[2-(2-ethoxyethoxy)propanoyl]piperidine-3-carboxylic acid
SMILESCCOCCOC(C)C(=O)N1CCCC(C(=O)O)C1
InChIInChI=1S/C13H23NO5/c1-3-18-7-8-19-10(2)12(15)14-6-4-5-11(9-14)13(16)17/h10-11H,3-9H2,1-2H3,(H,16,17)
InChIKeyCKPBGSMEXJIAGW-UHFFFAOYSA-N
MW273.33 g/mol
LogP0.75
Rot. Bonds7

About 1-[2-(2-ethoxyethoxy)propanoyl]piperidine-3-carboxylic acid

1-[2-(2-ethoxyethoxy)propanoyl]piperidine-3-carboxylic acid (PubChem CID 119167924) has the molecular formula C13H23NO5 and a molecular weight of 273.33 g/mol. Its IUPAC name is 1-[2-(2-ethoxyethoxy)propanoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-(2-ethoxyethoxy)propanoyl]piperidine-3-carboxylic acid
PubChem CID119167924
Molecular FormulaC13H23NO5
Molecular Weight273.33 g/mol
Exact Mass273.16
IUPAC Name1-[2-(2-ethoxyethoxy)propanoyl]piperidine-3-carboxylic acid
SMILESCCOCCOC(C)C(=O)N1CCCC(C(=O)O)C1
InChIInChI=1S/C13H23NO5/c1-3-18-7-8-19-10(2)12(15)14-6-4-5-11(9-14)13(16)17/h10-11H,3-9H2,1-2H3,(H,16,17)
InChIKeyCKPBGSMEXJIAGW-UHFFFAOYSA-N
XLogP0.75
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 50.75
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-ethoxybutanoyl)piperidine-3-carboxylic acid
CID 126790398
1-(2,3-dimethylpentanoyl)piperidine-3-carboxylic acid
CID 120512637
(3S)-1-[(2R)-2-(2,2,2-trifluoroethoxy)propanoyl]piperidine-3-carboxylic acid
CID 124689519
(3S)-1-(2-methylbutanoyl)piperidine-3-carboxylic acid
CID 81120837
1-[(2S,3S)-2-amino-3-methylpentanoyl]piperidine-3-carboxylic acid
CID 61157542
(3S)-1-[(2R)-2-methylpentanoyl]piperidine-3-carboxylic acid
CID 28734803
(3S)-1-[(2S)-2-[[(2S)-oxan-2-yl]methoxy]propanoyl]piperidine-3-carboxylic acid
CID 125118958
(3R)-1-(2-phenoxypropanoyl)piperidine-3-carboxylic acid
CID 81119430
1-[(2R)-2-hydroxypropanoyl]piperidine-3-carboxylic acid
CID 130649320
(3S)-1-[(2S)-2-cyclohexyloxybutanoyl]piperidine-3-carboxylic acid
CID 99623318
1-[2-(2-butan-2-ylphenoxy)propanoyl]piperidine-3-carboxylic acid
CID 54794320
(3S)-1-[2-(aminomethyl)pentanoyl]piperidine-3-carboxylic acid
CID 81126128

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-ethoxyethoxy)propanoyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[2-(2-ethoxyethoxy)propanoyl]piperidine-3-carboxylic acid (CID 119167924) is 1-[2-(2-ethoxyethoxy)propanoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-(2-ethoxyethoxy)propanoyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[2-(2-ethoxyethoxy)propanoyl]piperidine-3-carboxylic acid is CCOCCOC(C)C(=O)N1CCCC(C(=O)O)C1.
What is the InChIKey of 1-[2-(2-ethoxyethoxy)propanoyl]piperidine-3-carboxylic acid?
The InChIKey is CKPBGSMEXJIAGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO5/c1-3-18-7-8-19-10(2)12(15)14-6-4-5-11(9-14)13(16)17/h10-11H,3-9H2,1-2H3,(H,16,17).
What are the key properties of 1-[2-(2-ethoxyethoxy)propanoyl]piperidine-3-carboxylic acid?
1-[2-(2-ethoxyethoxy)propanoyl]piperidine-3-carboxylic acid has a molecular weight of 273.33 g/mol, XLogP of 0.75, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-ethoxyethoxy)propanoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 119167924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).