1-[(5,5-dimethyloxolan-2-yl)methyl]-4-ethylpiperidine-4-carboxylic acid

C15H27NO3 — CID 116522721

IUPAC1-[(5,5-dimethyloxolan-2-yl)methyl]-4-ethylpiperidine-4-carboxylic acid
SMILESCCC1(C(=O)O)CCN(CC2CCC(C)(C)O2)CC1
InChIInChI=1S/C15H27NO3/c1-4-15(13(17)18)7-9-16(10-8-15)11-12-5-6-14(2,3)19-12/h12H,4-11H2,1-3H3,(H,17,18)
InChIKeyQGLFLCQDYWGEEG-UHFFFAOYSA-N
MW269.38 g/mol
LogP2.52
Rot. Bonds4

About 1-[(5,5-dimethyloxolan-2-yl)methyl]-4-ethylpiperidine-4-carboxylic acid

1-[(5,5-dimethyloxolan-2-yl)methyl]-4-ethylpiperidine-4-carboxylic acid (PubChem CID 116522721) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is 1-[(5,5-dimethyloxolan-2-yl)methyl]-4-ethylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[(5,5-dimethyloxolan-2-yl)methyl]-4-ethylpiperidine-4-carboxylic acid
PubChem CID116522721
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Name1-[(5,5-dimethyloxolan-2-yl)methyl]-4-ethylpiperidine-4-carboxylic acid
SMILESCCC1(C(=O)O)CCN(CC2CCC(C)(C)O2)CC1
InChIInChI=1S/C15H27NO3/c1-4-15(13(17)18)7-9-16(10-8-15)11-12-5-6-14(2,3)19-12/h12H,4-11H2,1-3H3,(H,17,18)
InChIKeyQGLFLCQDYWGEEG-UHFFFAOYSA-N
XLogP2.52
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,8-Dimethyl-2-oxa-8-azaspiro[4.5]decan-1-one;propane
CID 144144888
8-Ethyl-3-methyl-2-oxa-8-azaspiro[4.5]decan-1-one
CID 157291637
3,3-Diethyl-5-(piperidin-1-ylmethyl)oxolan-2-one
CID 10243338
5-Methyl-3-(2-morpholin-4-ylethyl)oxolan-2-one
CID 13067712
5,5-Dimethyl-3-[2-(morpholin-4-yl)ethyl]oxolan-2-one
CID 13067714
1-(Oxolan-2-ylmethyl)piperidine-4-carboxylic acid
CID 43385799
2-Ethyl-2-[[ethyl(oxolan-2-ylmethyl)amino]methyl]butanoic acid
CID 55055744
4-[[Ethyl(oxolan-2-ylmethyl)amino]methyl]oxane-4-carboxylic acid
CID 55067006
1-(Oxolan-2-ylmethyl)-3-propylpyrrolidine-3-carboxylic acid
CID 55165394
1-(2-Propan-2-yloxyethyl)-3-propylpiperidine-3-carboxylic acid
CID 55165895
3-Ethyl-1-(2-propan-2-yloxyethyl)piperidine-3-carboxylic acid
CID 55167047
1-(Oxolan-2-ylmethyl)-4-propylpiperidine-4-carboxylic acid
CID 55178162

Frequently Asked Questions

What is the IUPAC name of 1-[(5,5-dimethyloxolan-2-yl)methyl]-4-ethylpiperidine-4-carboxylic acid?
The IUPAC name of 1-[(5,5-dimethyloxolan-2-yl)methyl]-4-ethylpiperidine-4-carboxylic acid (CID 116522721) is 1-[(5,5-dimethyloxolan-2-yl)methyl]-4-ethylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-[(5,5-dimethyloxolan-2-yl)methyl]-4-ethylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-[(5,5-dimethyloxolan-2-yl)methyl]-4-ethylpiperidine-4-carboxylic acid is CCC1(C(=O)O)CCN(CC2CCC(C)(C)O2)CC1.
What is the InChIKey of 1-[(5,5-dimethyloxolan-2-yl)methyl]-4-ethylpiperidine-4-carboxylic acid?
The InChIKey is QGLFLCQDYWGEEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3/c1-4-15(13(17)18)7-9-16(10-8-15)11-12-5-6-14(2,3)19-12/h12H,4-11H2,1-3H3,(H,17,18).
What are the key properties of 1-[(5,5-dimethyloxolan-2-yl)methyl]-4-ethylpiperidine-4-carboxylic acid?
1-[(5,5-dimethyloxolan-2-yl)methyl]-4-ethylpiperidine-4-carboxylic acid has a molecular weight of 269.38 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5,5-dimethyloxolan-2-yl)methyl]-4-ethylpiperidine-4-carboxylic acid is sourced from PubChem (CID 116522721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).