4-[[2-ethoxyethyl(methyl)carbamoyl]amino]oxolane-3-carboxylic acid

C11H20N2O5 — CID 81056904

IUPAC4-[[2-ethoxyethyl(methyl)carbamoyl]amino]oxolane-3-carboxylic acid
SMILESCCOCCN(C)C(=O)NC1COCC1C(=O)O
InChIInChI=1S/C11H20N2O5/c1-3-17-5-4-13(2)11(16)12-9-7-18-6-8(9)10(14)15/h8-9H,3-7H2,1-2H3,(H,12,16)(H,14,15)
InChIKeyXSCHOIMWKNCHIM-UHFFFAOYSA-N
MW260.29 g/mol
LogP-0.24
Rot. Bonds6

About 4-[[2-ethoxyethyl(methyl)carbamoyl]amino]oxolane-3-carboxylic acid

4-[[2-ethoxyethyl(methyl)carbamoyl]amino]oxolane-3-carboxylic acid (PubChem CID 81056904) has the molecular formula C11H20N2O5 and a molecular weight of 260.29 g/mol. Its IUPAC name is 4-[[2-ethoxyethyl(methyl)carbamoyl]amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[[2-ethoxyethyl(methyl)carbamoyl]amino]oxolane-3-carboxylic acid
PubChem CID81056904
Molecular FormulaC11H20N2O5
Molecular Weight260.29 g/mol
Exact Mass260.14
IUPAC Name4-[[2-ethoxyethyl(methyl)carbamoyl]amino]oxolane-3-carboxylic acid
SMILESCCOCCN(C)C(=O)NC1COCC1C(=O)O
InChIInChI=1S/C11H20N2O5/c1-3-17-5-4-13(2)11(16)12-9-7-18-6-8(9)10(14)15/h8-9H,3-7H2,1-2H3,(H,12,16)(H,14,15)
InChIKeyXSCHOIMWKNCHIM-UHFFFAOYSA-N
XLogP-0.24
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[[(3-methoxy-3-oxopropyl)-methylcarbamoyl]amino]oxolane-3-carboxylic acid
CID 66240363
4-[[[2-(cyclopropylamino)-2-oxoethyl]-methylcarbamoyl]amino]oxolane-3-carboxylic acid
CID 66241556
4-(2-ethoxyethylsulfonylamino)oxolane-3-carboxylic acid
CID 66238477
4-[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]oxolane-3-carboxylic acid
CID 104553066
4-[[2-ethoxyethyl(methyl)carbamoyl]-propylamino]oxolane-3-carboxylic acid
CID 81037296
4-[[ethyl(3-hydroxypropyl)carbamoyl]amino]oxolane-3-carboxylic acid
CID 113468852
4-[[methyl(pyridin-4-ylmethyl)carbamoyl]amino]oxolane-3-carboxylic acid
CID 66239350
4-[[(4-fluorophenyl)methyl-methylcarbamoyl]amino]oxolane-3-carboxylic acid
CID 66238952
3-cyclohexyl-1-[2-(5-ethoxypentoxy)ethyl]-1-methylurea
CID 142463129
4-[[(4-bromothiophen-2-yl)methyl-methylcarbamoyl]amino]oxolane-3-carboxylic acid
CID 66238763
4-[[(5-chlorothiophen-2-yl)methyl-methylcarbamoyl]amino]oxolane-3-carboxylic acid
CID 66240752
4-[[(2-fluorophenyl)methyl-methylcarbamoyl]amino]oxolane-3-carboxylic acid
CID 66238951

Frequently Asked Questions

What is the IUPAC name of 4-[[2-ethoxyethyl(methyl)carbamoyl]amino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[[2-ethoxyethyl(methyl)carbamoyl]amino]oxolane-3-carboxylic acid (CID 81056904) is 4-[[2-ethoxyethyl(methyl)carbamoyl]amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[[2-ethoxyethyl(methyl)carbamoyl]amino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[[2-ethoxyethyl(methyl)carbamoyl]amino]oxolane-3-carboxylic acid is CCOCCN(C)C(=O)NC1COCC1C(=O)O.
What is the InChIKey of 4-[[2-ethoxyethyl(methyl)carbamoyl]amino]oxolane-3-carboxylic acid?
The InChIKey is XSCHOIMWKNCHIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O5/c1-3-17-5-4-13(2)11(16)12-9-7-18-6-8(9)10(14)15/h8-9H,3-7H2,1-2H3,(H,12,16)(H,14,15).
What are the key properties of 4-[[2-ethoxyethyl(methyl)carbamoyl]amino]oxolane-3-carboxylic acid?
4-[[2-ethoxyethyl(methyl)carbamoyl]amino]oxolane-3-carboxylic acid has a molecular weight of 260.29 g/mol, XLogP of -0.24, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-ethoxyethyl(methyl)carbamoyl]amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 81056904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).