5-[[[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]amino]methyl]oxolane-2-carboxylic acid

C13H22N2O5 — CID 104959546

IUPAC5-[[[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]amino]methyl]oxolane-2-carboxylic acid
SMILESC[C@@H]1CN(C(=O)NCC2CCC(C(=O)O)O2)C[C@H](C)O1
InChIInChI=1S/C13H22N2O5/c1-8-6-15(7-9(2)19-8)13(18)14-5-10-3-4-11(20-10)12(16)17/h8-11H,3-7H2,1-2H3,(H,14,18)(H,16,17)/t8-,9+,10?,11?
InChIKeyHMOQYKJOZXJELG-IXBNRNDTSA-N
MW286.33 g/mol
LogP0.44
Rot. Bonds3

About 5-[[[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]amino]methyl]oxolane-2-carboxylic acid

5-[[[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]amino]methyl]oxolane-2-carboxylic acid (PubChem CID 104959546) has the molecular formula C13H22N2O5 and a molecular weight of 286.33 g/mol. Its IUPAC name is 5-[[[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]amino]methyl]oxolane-2-carboxylic acid.

Molecular Properties

Compound Name5-[[[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]amino]methyl]oxolane-2-carboxylic acid
PubChem CID104959546
Molecular FormulaC13H22N2O5
Molecular Weight286.33 g/mol
Exact Mass286.15
IUPAC Name5-[[[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]amino]methyl]oxolane-2-carboxylic acid
SMILESC[C@@H]1CN(C(=O)NCC2CCC(C(=O)O)O2)C[C@H](C)O1
InChIInChI=1S/C13H22N2O5/c1-8-6-15(7-9(2)19-8)13(18)14-5-10-3-4-11(20-10)12(16)17/h8-11H,3-7H2,1-2H3,(H,14,18)(H,16,17)/t8-,9+,10?,11?
InChIKeyHMOQYKJOZXJELG-IXBNRNDTSA-N
XLogP0.44
TPSA88.10 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 ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-[[[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]amino]methyl]oxolane-2-carboxylic acid with MolForge

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Related Compounds

5-[[(3-hydroxy-4-methylpiperidine-1-carbonyl)amino]methyl]oxolane-2-carboxylic acid
CID 102962024
4-[[(2,6-dimethylmorpholine-4-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 79524647
5-[[(2-methylcyclopropyl)amino]methyl]oxolane-2-carboxylic acid
CID 103249911
N-[(5-carbamoyloxolan-2-yl)methyl]-4-azatricyclo[5.2.2.02,6]undec-8-ene-4-carboxamide
CID 128611490
(2R,5S)-5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]oxolane-2-carboxylic acid
CID 96837502
5-[[(4-methylcyclohexyl)amino]methyl]oxolane-2-carboxylic acid
CID 103234012
3-[[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]amino]-2-methylpropanoic acid
CID 104959652
4-[(2,6-dimethylmorpholine-4-carbonyl)amino]butanoic acid
CID 61187052
5-[(cyclopropylmethylamino)methyl]oxolane-2-carboxylic acid
CID 103231164
5-[[(2-methylcycloheptyl)amino]methyl]oxolane-2-carboxylic acid
CID 103254958
5-[[(2-methylpiperidine-4-carbonyl)amino]methyl]oxolane-2-carboxylic acid
CID 106740322
5-[[(2-propan-2-yloxyacetyl)amino]methyl]oxolane-2-carboxylic acid
CID 112602301

Frequently Asked Questions

What is the IUPAC name of 5-[[[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]amino]methyl]oxolane-2-carboxylic acid?
The IUPAC name of 5-[[[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]amino]methyl]oxolane-2-carboxylic acid (CID 104959546) is 5-[[[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]amino]methyl]oxolane-2-carboxylic acid.
What is the SMILES notation for 5-[[[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]amino]methyl]oxolane-2-carboxylic acid?
The canonical SMILES for 5-[[[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]amino]methyl]oxolane-2-carboxylic acid is C[C@@H]1CN(C(=O)NCC2CCC(C(=O)O)O2)C[C@H](C)O1.
What is the InChIKey of 5-[[[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]amino]methyl]oxolane-2-carboxylic acid?
The InChIKey is HMOQYKJOZXJELG-IXBNRNDTSA-N. The full InChI is InChI=1S/C13H22N2O5/c1-8-6-15(7-9(2)19-8)13(18)14-5-10-3-4-11(20-10)12(16)17/h8-11H,3-7H2,1-2H3,(H,14,18)(H,16,17)/t8-,9+,10?,11?.
What are the key properties of 5-[[[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]amino]methyl]oxolane-2-carboxylic acid?
5-[[[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]amino]methyl]oxolane-2-carboxylic acid has a molecular weight of 286.33 g/mol, XLogP of 0.44, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]amino]methyl]oxolane-2-carboxylic acid is sourced from PubChem (CID 104959546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).