5-[(2-ethylmorpholin-4-yl)methyl]oxolane-2-carboxylic acid

C12H21NO4 — CID 62299244

IUPAC5-[(2-ethylmorpholin-4-yl)methyl]oxolane-2-carboxylic acid
SMILESCCC1CN(CC2CCC(C(=O)O)O2)CCO1
InChIInChI=1S/C12H21NO4/c1-2-9-7-13(5-6-16-9)8-10-3-4-11(17-10)12(14)15/h9-11H,2-8H2,1H3,(H,14,15)
InChIKeyHYQKFCMNHOHWLN-UHFFFAOYSA-N
MW243.30 g/mol
LogP0.73
Rot. Bonds4

About 5-[(2-ethylmorpholin-4-yl)methyl]oxolane-2-carboxylic acid

5-[(2-ethylmorpholin-4-yl)methyl]oxolane-2-carboxylic acid (PubChem CID 62299244) has the molecular formula C12H21NO4 and a molecular weight of 243.30 g/mol. Its IUPAC name is 5-[(2-ethylmorpholin-4-yl)methyl]oxolane-2-carboxylic acid.

Molecular Properties

Compound Name5-[(2-ethylmorpholin-4-yl)methyl]oxolane-2-carboxylic acid
PubChem CID62299244
Molecular FormulaC12H21NO4
Molecular Weight243.30 g/mol
Exact Mass243.15
IUPAC Name5-[(2-ethylmorpholin-4-yl)methyl]oxolane-2-carboxylic acid
SMILESCCC1CN(CC2CCC(C(=O)O)O2)CCO1
InChIInChI=1S/C12H21NO4/c1-2-9-7-13(5-6-16-9)8-10-3-4-11(17-10)12(14)15/h9-11H,2-8H2,1H3,(H,14,15)
InChIKeyHYQKFCMNHOHWLN-UHFFFAOYSA-N
XLogP0.73
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[2-(hydroxymethyl)morpholin-4-yl]methyl]oxolane-2-carboxylic acid
CID 81204835
5-[(3-methylpyrrolidin-1-yl)methyl]oxolane-2-carboxylic acid
CID 62301014
(2S,5R)-5-[(4-ethylpiperazin-1-yl)methyl]oxolane-2-carboxylic acid
CID 178190652
5-[(4-ethylpiperazin-1-yl)methyl]oxolane-2-carboxylic acid
CID 62300814
5-[(3-phenylpyrrolidin-1-yl)methyl]oxolane-2-carboxylic acid
CID 62298901
5-(azocan-1-ylmethyl)oxolane-2-carboxylic acid
CID 62300127
(2S,5R)-5-[(4-methylpiperidin-1-yl)methyl]oxolane-2-carboxylic acid
CID 94390582
(2S,5R)-5-[(3,5-dimethylpiperidin-1-yl)methyl]oxolane-2-carboxylic acid
CID 178198064
5-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]oxolane-2-carboxylic acid
CID 63170529
5-[[4-(dimethylamino)piperidin-1-yl]methyl]oxolane-2-carboxylic acid
CID 62299960
(2R,5S)-5-[(4-propan-2-ylpiperazin-1-yl)methyl]oxolane-2-carboxylic acid
CID 165455041
5-(2-ethylmorpholin-4-yl)-2,2-dimethylpentanoic acid
CID 65254891

Frequently Asked Questions

What is the IUPAC name of 5-[(2-ethylmorpholin-4-yl)methyl]oxolane-2-carboxylic acid?
The IUPAC name of 5-[(2-ethylmorpholin-4-yl)methyl]oxolane-2-carboxylic acid (CID 62299244) is 5-[(2-ethylmorpholin-4-yl)methyl]oxolane-2-carboxylic acid.
What is the SMILES notation for 5-[(2-ethylmorpholin-4-yl)methyl]oxolane-2-carboxylic acid?
The canonical SMILES for 5-[(2-ethylmorpholin-4-yl)methyl]oxolane-2-carboxylic acid is CCC1CN(CC2CCC(C(=O)O)O2)CCO1.
What is the InChIKey of 5-[(2-ethylmorpholin-4-yl)methyl]oxolane-2-carboxylic acid?
The InChIKey is HYQKFCMNHOHWLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO4/c1-2-9-7-13(5-6-16-9)8-10-3-4-11(17-10)12(14)15/h9-11H,2-8H2,1H3,(H,14,15).
What are the key properties of 5-[(2-ethylmorpholin-4-yl)methyl]oxolane-2-carboxylic acid?
5-[(2-ethylmorpholin-4-yl)methyl]oxolane-2-carboxylic acid has a molecular weight of 243.30 g/mol, XLogP of 0.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-ethylmorpholin-4-yl)methyl]oxolane-2-carboxylic acid is sourced from PubChem (CID 62299244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).