5-[[(2-propan-2-yloxyacetyl)amino]methyl]oxolane-2-carboxylic acid

C11H19NO5 — CID 112602301

IUPAC5-[[(2-propan-2-yloxyacetyl)amino]methyl]oxolane-2-carboxylic acid
SMILESCC(C)OCC(=O)NCC1CCC(C(=O)O)O1
InChIInChI=1S/C11H19NO5/c1-7(2)16-6-10(13)12-5-8-3-4-9(17-8)11(14)15/h7-9H,3-6H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyWWRAEDOSPXFCMU-UHFFFAOYSA-N
MW245.27 g/mol
LogP0.16
Rot. Bonds6

About 5-[[(2-propan-2-yloxyacetyl)amino]methyl]oxolane-2-carboxylic acid

5-[[(2-propan-2-yloxyacetyl)amino]methyl]oxolane-2-carboxylic acid (PubChem CID 112602301) has the molecular formula C11H19NO5 and a molecular weight of 245.27 g/mol. Its IUPAC name is 5-[[(2-propan-2-yloxyacetyl)amino]methyl]oxolane-2-carboxylic acid.

Molecular Properties

Compound Name5-[[(2-propan-2-yloxyacetyl)amino]methyl]oxolane-2-carboxylic acid
PubChem CID112602301
Molecular FormulaC11H19NO5
Molecular Weight245.27 g/mol
Exact Mass245.13
IUPAC Name5-[[(2-propan-2-yloxyacetyl)amino]methyl]oxolane-2-carboxylic acid
SMILESCC(C)OCC(=O)NCC1CCC(C(=O)O)O1
InChIInChI=1S/C11H19NO5/c1-7(2)16-6-10(13)12-5-8-3-4-9(17-8)11(14)15/h7-9H,3-6H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyWWRAEDOSPXFCMU-UHFFFAOYSA-N
XLogP0.16
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.27
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(1-cyclopropylethylamino)methyl]oxolane-2-carboxylic acid
CID 103238552
5-[(2-methylpropylamino)methyl]oxolane-2-carboxylic acid
CID 103231044
5-[(4-hydroxypentan-2-ylamino)methyl]oxolane-2-carboxylic acid
CID 103263714
5-[[(3-hydroxy-2-methylbutan-2-yl)amino]methyl]oxolane-2-carboxylic acid
CID 103266670
(2R,5S)-5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]oxolane-2-carboxylic acid
CID 96837502
5-[[[1-(methylamino)-1-oxopropan-2-yl]amino]methyl]oxolane-2-carboxylic acid
CID 103246270
5-[(3,3-dimethylbutan-2-ylcarbamoylamino)methyl]oxolane-2-carboxylic acid
CID 113457975
5-[[(3-methoxy-2-methylpropyl)amino]methyl]oxolane-2-carboxylic acid
CID 103245618
5-[(cyclopropylmethylamino)methyl]oxolane-2-carboxylic acid
CID 103231164
5-[[[2-oxo-2-(propan-2-ylamino)ethyl]amino]methyl]oxolane-2-carboxylic acid
CID 103239200
5-[[3-[methyl(propan-2-yl)amino]propylcarbamoylamino]methyl]oxolane-2-carboxylic acid
CID 106038884
5-[[1-(dimethylamino)propan-2-ylcarbamoylamino]methyl]oxolane-2-carboxylic acid
CID 82938900

Frequently Asked Questions

What is the IUPAC name of 5-[[(2-propan-2-yloxyacetyl)amino]methyl]oxolane-2-carboxylic acid?
The IUPAC name of 5-[[(2-propan-2-yloxyacetyl)amino]methyl]oxolane-2-carboxylic acid (CID 112602301) is 5-[[(2-propan-2-yloxyacetyl)amino]methyl]oxolane-2-carboxylic acid.
What is the SMILES notation for 5-[[(2-propan-2-yloxyacetyl)amino]methyl]oxolane-2-carboxylic acid?
The canonical SMILES for 5-[[(2-propan-2-yloxyacetyl)amino]methyl]oxolane-2-carboxylic acid is CC(C)OCC(=O)NCC1CCC(C(=O)O)O1.
What is the InChIKey of 5-[[(2-propan-2-yloxyacetyl)amino]methyl]oxolane-2-carboxylic acid?
The InChIKey is WWRAEDOSPXFCMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO5/c1-7(2)16-6-10(13)12-5-8-3-4-9(17-8)11(14)15/h7-9H,3-6H2,1-2H3,(H,12,13)(H,14,15).
What are the key properties of 5-[[(2-propan-2-yloxyacetyl)amino]methyl]oxolane-2-carboxylic acid?
5-[[(2-propan-2-yloxyacetyl)amino]methyl]oxolane-2-carboxylic acid has a molecular weight of 245.27 g/mol, XLogP of 0.16, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2-propan-2-yloxyacetyl)amino]methyl]oxolane-2-carboxylic acid is sourced from PubChem (CID 112602301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).