4-[2-(2-methoxyethoxy)ethylcarbamoyl-methylamino]oxolane-3-carboxylic acid

C12H22N2O6 — CID 66265735

IUPAC4-[2-(2-methoxyethoxy)ethylcarbamoyl-methylamino]oxolane-3-carboxylic acid
SMILESCOCCOCCNC(=O)N(C)C1COCC1C(=O)O
InChIInChI=1S/C12H22N2O6/c1-14(10-8-20-7-9(10)11(15)16)12(17)13-3-4-19-6-5-18-2/h9-10H,3-8H2,1-2H3,(H,13,17)(H,15,16)
InChIKeyQKGUNQQBGOCEIO-UHFFFAOYSA-N
MW290.32 g/mol
LogP-0.61
Rot. Bonds8

About 4-[2-(2-methoxyethoxy)ethylcarbamoyl-methylamino]oxolane-3-carboxylic acid

4-[2-(2-methoxyethoxy)ethylcarbamoyl-methylamino]oxolane-3-carboxylic acid (PubChem CID 66265735) has the molecular formula C12H22N2O6 and a molecular weight of 290.32 g/mol. Its IUPAC name is 4-[2-(2-methoxyethoxy)ethylcarbamoyl-methylamino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[2-(2-methoxyethoxy)ethylcarbamoyl-methylamino]oxolane-3-carboxylic acid
PubChem CID66265735
Molecular FormulaC12H22N2O6
Molecular Weight290.32 g/mol
Exact Mass290.15
IUPAC Name4-[2-(2-methoxyethoxy)ethylcarbamoyl-methylamino]oxolane-3-carboxylic acid
SMILESCOCCOCCNC(=O)N(C)C1COCC1C(=O)O
InChIInChI=1S/C12H22N2O6/c1-14(10-8-20-7-9(10)11(15)16)12(17)13-3-4-19-6-5-18-2/h9-10H,3-8H2,1-2H3,(H,13,17)(H,15,16)
InChIKeyQKGUNQQBGOCEIO-UHFFFAOYSA-N
XLogP-0.61
TPSA97.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 5-0.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(carbamoylamino)ethylcarbamoyl-methylamino]oxolane-3-carboxylic acid
CID 83113561
4-[methyl(3-methylsulfanylpropylcarbamoyl)amino]oxolane-3-carboxylic acid
CID 66265349
4-[2,2-dimethylpropylcarbamoyl(methyl)amino]oxolane-3-carboxylic acid
CID 66266712
4-[methyl-[(4-methylcyclohexyl)methylcarbamoyl]amino]oxolane-3-carboxylic acid
CID 66265543
4-[3-cyclopentylpropylcarbamoyl(methyl)amino]oxolane-3-carboxylic acid
CID 106005375
4-[[2-(tert-butylamino)-2-oxoethyl]carbamoyl-methylamino]oxolane-3-carboxylic acid
CID 115356702
4-[methyl-[(1-methylcyclopentyl)methylcarbamoyl]amino]oxolane-3-carboxylic acid
CID 66267710
4-[methyl(2-pyrazol-1-ylethylcarbamoyl)amino]oxolane-3-carboxylic acid
CID 66267502
4-[[2-hydroxy-3-(2-methoxyethoxy)propyl]-methylamino]oxolane-3-carboxylic acid
CID 106991480
4-[1,4-dioxan-2-ylmethylcarbamoyl(methyl)amino]oxolane-3-carboxylic acid
CID 66266117
3-[2-(2-methoxyethoxy)ethyl]-1,1-dimethylurea
CID 115580140
4-[methyl(3-methylpentan-2-ylcarbamoyl)amino]oxolane-3-carboxylic acid
CID 66267696

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-methoxyethoxy)ethylcarbamoyl-methylamino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[2-(2-methoxyethoxy)ethylcarbamoyl-methylamino]oxolane-3-carboxylic acid (CID 66265735) is 4-[2-(2-methoxyethoxy)ethylcarbamoyl-methylamino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[2-(2-methoxyethoxy)ethylcarbamoyl-methylamino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[2-(2-methoxyethoxy)ethylcarbamoyl-methylamino]oxolane-3-carboxylic acid is COCCOCCNC(=O)N(C)C1COCC1C(=O)O.
What is the InChIKey of 4-[2-(2-methoxyethoxy)ethylcarbamoyl-methylamino]oxolane-3-carboxylic acid?
The InChIKey is QKGUNQQBGOCEIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O6/c1-14(10-8-20-7-9(10)11(15)16)12(17)13-3-4-19-6-5-18-2/h9-10H,3-8H2,1-2H3,(H,13,17)(H,15,16).
What are the key properties of 4-[2-(2-methoxyethoxy)ethylcarbamoyl-methylamino]oxolane-3-carboxylic acid?
4-[2-(2-methoxyethoxy)ethylcarbamoyl-methylamino]oxolane-3-carboxylic acid has a molecular weight of 290.32 g/mol, XLogP of -0.61, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-methoxyethoxy)ethylcarbamoyl-methylamino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66265735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).