4-[[(2-methoxy-2-oxoethyl)-propylcarbamoyl]amino]oxane-4-carboxylic acid

C13H22N2O6 — CID 115293053

IUPAC4-[[(2-methoxy-2-oxoethyl)-propylcarbamoyl]amino]oxane-4-carboxylic acid
SMILESCCCN(CC(=O)OC)C(=O)NC1(C(=O)O)CCOCC1
InChIInChI=1S/C13H22N2O6/c1-3-6-15(9-10(16)20-2)12(19)14-13(11(17)18)4-7-21-8-5-13/h3-9H2,1-2H3,(H,14,19)(H,17,18)
InChIKeyBWEBUFZTOAOKMX-UHFFFAOYSA-N
MW302.33 g/mol
LogP0.21
Rot. Bonds6

About 4-[[(2-methoxy-2-oxoethyl)-propylcarbamoyl]amino]oxane-4-carboxylic acid

4-[[(2-methoxy-2-oxoethyl)-propylcarbamoyl]amino]oxane-4-carboxylic acid (PubChem CID 115293053) has the molecular formula C13H22N2O6 and a molecular weight of 302.33 g/mol. Its IUPAC name is 4-[[(2-methoxy-2-oxoethyl)-propylcarbamoyl]amino]oxane-4-carboxylic acid.

Molecular Properties

Compound Name4-[[(2-methoxy-2-oxoethyl)-propylcarbamoyl]amino]oxane-4-carboxylic acid
PubChem CID115293053
Molecular FormulaC13H22N2O6
Molecular Weight302.33 g/mol
Exact Mass302.15
IUPAC Name4-[[(2-methoxy-2-oxoethyl)-propylcarbamoyl]amino]oxane-4-carboxylic acid
SMILESCCCN(CC(=O)OC)C(=O)NC1(C(=O)O)CCOCC1
InChIInChI=1S/C13H22N2O6/c1-3-6-15(9-10(16)20-2)12(19)14-13(11(17)18)4-7-21-8-5-13/h3-9H2,1-2H3,(H,14,19)(H,17,18)
InChIKeyBWEBUFZTOAOKMX-UHFFFAOYSA-N
XLogP0.21
TPSA105.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[[(2-methoxy-2-oxoethyl)-propylcarbamoyl]amino]oxane-4-carboxylic acid with MolForge

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Related Compounds

4-[2-(2,2-Difluoroethoxy)ethylcarbamoylamino]oxane-4-carboxylic acid
CID 105919117
4-(4,4,4-Trifluorobutan-2-ylcarbamoylamino)oxane-4-carboxylic acid
CID 105945035
4-(2,2,3,3-Tetrafluoropropylcarbamoylamino)oxane-4-carboxylic acid
CID 106295084
4-[[2,2-Difluoroethyl(2-hydroxyethyl)carbamoyl]amino]oxane-4-carboxylic acid
CID 107481630
4-[[2-Hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]amino]oxane-4-carboxylic acid
CID 107481880
4-[[2,2-Difluoroethyl(methyl)carbamoyl]amino]oxane-4-carboxylic acid
CID 113502864
4-(2,2,2-Trifluoroethylcarbamoylamino)oxane-4-carboxylic acid
CID 115292775
4-[[Methyl(2,2,2-trifluoroethyl)carbamoyl]amino]oxane-4-carboxylic acid
CID 115292909
4-[[Ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]oxane-4-carboxylic acid
CID 115293056
4-[[Cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]oxane-4-carboxylic acid
CID 115293058
4-[[Propyl(2,2,2-trifluoroethyl)carbamoyl]amino]oxane-4-carboxylic acid
CID 115293059
4-[[Propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]oxane-4-carboxylic acid
CID 115293060

Frequently Asked Questions

What is the IUPAC name of 4-[[(2-methoxy-2-oxoethyl)-propylcarbamoyl]amino]oxane-4-carboxylic acid?
The IUPAC name of 4-[[(2-methoxy-2-oxoethyl)-propylcarbamoyl]amino]oxane-4-carboxylic acid (CID 115293053) is 4-[[(2-methoxy-2-oxoethyl)-propylcarbamoyl]amino]oxane-4-carboxylic acid.
What is the SMILES notation for 4-[[(2-methoxy-2-oxoethyl)-propylcarbamoyl]amino]oxane-4-carboxylic acid?
The canonical SMILES for 4-[[(2-methoxy-2-oxoethyl)-propylcarbamoyl]amino]oxane-4-carboxylic acid is CCCN(CC(=O)OC)C(=O)NC1(C(=O)O)CCOCC1.
What is the InChIKey of 4-[[(2-methoxy-2-oxoethyl)-propylcarbamoyl]amino]oxane-4-carboxylic acid?
The InChIKey is BWEBUFZTOAOKMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O6/c1-3-6-15(9-10(16)20-2)12(19)14-13(11(17)18)4-7-21-8-5-13/h3-9H2,1-2H3,(H,14,19)(H,17,18).
What are the key properties of 4-[[(2-methoxy-2-oxoethyl)-propylcarbamoyl]amino]oxane-4-carboxylic acid?
4-[[(2-methoxy-2-oxoethyl)-propylcarbamoyl]amino]oxane-4-carboxylic acid has a molecular weight of 302.33 g/mol, XLogP of 0.21, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2-methoxy-2-oxoethyl)-propylcarbamoyl]amino]oxane-4-carboxylic acid is sourced from PubChem (CID 115293053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).