3-[[ethyl-(2-methoxy-2-oxoethyl)carbamoyl]amino]oxolane-3-carboxylic acid

C11H18N2O6 — CID 64892660

IUPAC3-[[ethyl-(2-methoxy-2-oxoethyl)carbamoyl]amino]oxolane-3-carboxylic acid
SMILESCCN(CC(=O)OC)C(=O)NC1(C(=O)O)CCOC1
InChIInChI=1S/C11H18N2O6/c1-3-13(6-8(14)18-2)10(17)12-11(9(15)16)4-5-19-7-11/h3-7H2,1-2H3,(H,12,17)(H,15,16)
InChIKeyIBEQRKABLASZSJ-UHFFFAOYSA-N
MW274.27 g/mol
LogP-0.57
Rot. Bonds5

About 3-[[ethyl-(2-methoxy-2-oxoethyl)carbamoyl]amino]oxolane-3-carboxylic acid

3-[[ethyl-(2-methoxy-2-oxoethyl)carbamoyl]amino]oxolane-3-carboxylic acid (PubChem CID 64892660) has the molecular formula C11H18N2O6 and a molecular weight of 274.27 g/mol. Its IUPAC name is 3-[[ethyl-(2-methoxy-2-oxoethyl)carbamoyl]amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name3-[[ethyl-(2-methoxy-2-oxoethyl)carbamoyl]amino]oxolane-3-carboxylic acid
PubChem CID64892660
Molecular FormulaC11H18N2O6
Molecular Weight274.27 g/mol
Exact Mass274.12
IUPAC Name3-[[ethyl-(2-methoxy-2-oxoethyl)carbamoyl]amino]oxolane-3-carboxylic acid
SMILESCCN(CC(=O)OC)C(=O)NC1(C(=O)O)CCOC1
InChIInChI=1S/C11H18N2O6/c1-3-13(6-8(14)18-2)10(17)12-11(9(15)16)4-5-19-7-11/h3-7H2,1-2H3,(H,12,17)(H,15,16)
InChIKeyIBEQRKABLASZSJ-UHFFFAOYSA-N
XLogP-0.57
TPSA105.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.27
LogP ≤ 5-0.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[[ethyl-(2-methoxy-2-oxoethyl)carbamoyl]amino]oxolane-3-carboxylic acid with MolForge

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Related Compounds

3-(2,2,2-Trifluoroethylcarbamoylamino)oxolane-3-carboxylic acid
CID 64889275
3-[[Methyl(2,2,2-trifluoroethyl)carbamoyl]amino]oxolane-3-carboxylic acid
CID 64891045
3-[[Ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]oxolane-3-carboxylic acid
CID 64891660
3-[[Cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]oxolane-3-carboxylic acid
CID 64891855
3-[[Propyl(2,2,2-trifluoroethyl)carbamoyl]amino]oxolane-3-carboxylic acid
CID 64892050
3-[[Propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]oxolane-3-carboxylic acid
CID 64892051
3-[2-(2,2,2-Trifluoroethoxy)ethylcarbamoylamino]oxolane-3-carboxylic acid
CID 64893287
3-(3,3,3-Trifluoropropylcarbamoylamino)oxolane-3-carboxylic acid
CID 64893496
3-[[Methyl(3,3,3-trifluoropropyl)carbamoyl]amino]oxolane-3-carboxylic acid
CID 65536776
4-[[Propyl(2,2,2-trifluoroethyl)carbamoyl]amino]oxolane-3-carboxylic acid
CID 66239571
4-[[Propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]oxolane-3-carboxylic acid
CID 66239572
4-[Ethyl(3,3,3-trifluoropropylcarbamoyl)amino]oxolane-3-carboxylic acid
CID 66246150

Frequently Asked Questions

What is the IUPAC name of 3-[[ethyl-(2-methoxy-2-oxoethyl)carbamoyl]amino]oxolane-3-carboxylic acid?
The IUPAC name of 3-[[ethyl-(2-methoxy-2-oxoethyl)carbamoyl]amino]oxolane-3-carboxylic acid (CID 64892660) is 3-[[ethyl-(2-methoxy-2-oxoethyl)carbamoyl]amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 3-[[ethyl-(2-methoxy-2-oxoethyl)carbamoyl]amino]oxolane-3-carboxylic acid?
The canonical SMILES for 3-[[ethyl-(2-methoxy-2-oxoethyl)carbamoyl]amino]oxolane-3-carboxylic acid is CCN(CC(=O)OC)C(=O)NC1(C(=O)O)CCOC1.
What is the InChIKey of 3-[[ethyl-(2-methoxy-2-oxoethyl)carbamoyl]amino]oxolane-3-carboxylic acid?
The InChIKey is IBEQRKABLASZSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O6/c1-3-13(6-8(14)18-2)10(17)12-11(9(15)16)4-5-19-7-11/h3-7H2,1-2H3,(H,12,17)(H,15,16).
What are the key properties of 3-[[ethyl-(2-methoxy-2-oxoethyl)carbamoyl]amino]oxolane-3-carboxylic acid?
3-[[ethyl-(2-methoxy-2-oxoethyl)carbamoyl]amino]oxolane-3-carboxylic acid has a molecular weight of 274.27 g/mol, XLogP of -0.57, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[ethyl-(2-methoxy-2-oxoethyl)carbamoyl]amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 64892660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).