4-[ethyl-(4-hydroxypiperidine-1-carbonyl)amino]oxolane-3-carboxylic acid

C13H22N2O5 — CID 66245727

IUPAC4-[ethyl-(4-hydroxypiperidine-1-carbonyl)amino]oxolane-3-carboxylic acid
SMILESCCN(C(=O)N1CCC(O)CC1)C1COCC1C(=O)O
InChIInChI=1S/C13H22N2O5/c1-2-15(11-8-20-7-10(11)12(17)18)13(19)14-5-3-9(16)4-6-14/h9-11,16H,2-8H2,1H3,(H,17,18)
InChIKeyQDYLRZHSVWPIFJ-UHFFFAOYSA-N
MW286.33 g/mol
LogP-0.02
Rot. Bonds3

About 4-[ethyl-(4-hydroxypiperidine-1-carbonyl)amino]oxolane-3-carboxylic acid

4-[ethyl-(4-hydroxypiperidine-1-carbonyl)amino]oxolane-3-carboxylic acid (PubChem CID 66245727) has the molecular formula C13H22N2O5 and a molecular weight of 286.33 g/mol. Its IUPAC name is 4-[ethyl-(4-hydroxypiperidine-1-carbonyl)amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[ethyl-(4-hydroxypiperidine-1-carbonyl)amino]oxolane-3-carboxylic acid
PubChem CID66245727
Molecular FormulaC13H22N2O5
Molecular Weight286.33 g/mol
Exact Mass286.15
IUPAC Name4-[ethyl-(4-hydroxypiperidine-1-carbonyl)amino]oxolane-3-carboxylic acid
SMILESCCN(C(=O)N1CCC(O)CC1)C1COCC1C(=O)O
InChIInChI=1S/C13H22N2O5/c1-2-15(11-8-20-7-10(11)12(17)18)13(19)14-5-3-9(16)4-6-14/h9-11,16H,2-8H2,1H3,(H,17,18)
InChIKeyQDYLRZHSVWPIFJ-UHFFFAOYSA-N
XLogP-0.02
TPSA90.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[ethyl-(3-hydroxy-4-methylpiperidine-1-carbonyl)amino]oxolane-3-carboxylic acid
CID 102962016
4-[(3,5-dimethylpiperidine-1-carbonyl)-ethylamino]oxolane-3-carboxylic acid
CID 66245344
4-[ethyl-(3-methoxypiperidine-1-carbonyl)amino]oxolane-3-carboxylic acid
CID 102962926
4-[ethyl-(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]oxolane-3-carboxylic acid
CID 106315698
4-[[3-(hydroxymethyl)pyrrolidine-1-carbonyl]-propylamino]oxolane-3-carboxylic acid
CID 115965784
4-[ethyl(2-methylpentanoyl)amino]oxolane-3-carboxylic acid
CID 66245844
4-[acetyl(propyl)amino]oxolane-3-carboxylic acid
CID 66257984
4-[ethyl(methylcarbamoyl)amino]oxolane-3-carboxylic acid
CID 66245135
4-[ethyl-(2-methyl-3-oxopiperazine-1-carbonyl)amino]oxolane-3-carboxylic acid
CID 66246337
4-[ethyl(2-methylpropoxycarbonyl)amino]oxolane-3-carboxylic acid
CID 66246438
4-[cyclopent-3-ene-1-carbonyl(ethyl)amino]oxolane-3-carboxylic acid
CID 66246028
4-[(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)-propylamino]oxolane-3-carboxylic acid
CID 106316119

Frequently Asked Questions

What is the IUPAC name of 4-[ethyl-(4-hydroxypiperidine-1-carbonyl)amino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[ethyl-(4-hydroxypiperidine-1-carbonyl)amino]oxolane-3-carboxylic acid (CID 66245727) is 4-[ethyl-(4-hydroxypiperidine-1-carbonyl)amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[ethyl-(4-hydroxypiperidine-1-carbonyl)amino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[ethyl-(4-hydroxypiperidine-1-carbonyl)amino]oxolane-3-carboxylic acid is CCN(C(=O)N1CCC(O)CC1)C1COCC1C(=O)O.
What is the InChIKey of 4-[ethyl-(4-hydroxypiperidine-1-carbonyl)amino]oxolane-3-carboxylic acid?
The InChIKey is QDYLRZHSVWPIFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O5/c1-2-15(11-8-20-7-10(11)12(17)18)13(19)14-5-3-9(16)4-6-14/h9-11,16H,2-8H2,1H3,(H,17,18).
What are the key properties of 4-[ethyl-(4-hydroxypiperidine-1-carbonyl)amino]oxolane-3-carboxylic acid?
4-[ethyl-(4-hydroxypiperidine-1-carbonyl)amino]oxolane-3-carboxylic acid has a molecular weight of 286.33 g/mol, XLogP of -0.02, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl-(4-hydroxypiperidine-1-carbonyl)amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66245727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).