2,5-dimethyl-4-(methylcarbamoyl)oxolane-3-carboxylic acid

C9H15NO4 — CID 145278694

IUPAC2,5-dimethyl-4-(methylcarbamoyl)oxolane-3-carboxylic acid
SMILESCNC(=O)C1C(C)OC(C)C1C(=O)O
InChIInChI=1S/C9H15NO4/c1-4-6(8(11)10-3)7(9(12)13)5(2)14-4/h4-7H,1-3H3,(H,10,11)(H,12,13)
InChIKeyNEQGFPLRIJVDLZ-UHFFFAOYSA-N
MW201.22 g/mol
LogP-0.14
Rot. Bonds2

About 2,5-dimethyl-4-(methylcarbamoyl)oxolane-3-carboxylic acid

2,5-dimethyl-4-(methylcarbamoyl)oxolane-3-carboxylic acid (PubChem CID 145278694) has the molecular formula C9H15NO4 and a molecular weight of 201.22 g/mol. Its IUPAC name is 2,5-dimethyl-4-(methylcarbamoyl)oxolane-3-carboxylic acid.

Molecular Properties

Compound Name2,5-dimethyl-4-(methylcarbamoyl)oxolane-3-carboxylic acid
PubChem CID145278694
Molecular FormulaC9H15NO4
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Name2,5-dimethyl-4-(methylcarbamoyl)oxolane-3-carboxylic acid
SMILESCNC(=O)C1C(C)OC(C)C1C(=O)O
InChIInChI=1S/C9H15NO4/c1-4-6(8(11)10-3)7(9(12)13)5(2)14-4/h4-7H,1-3H3,(H,10,11)(H,12,13)
InChIKeyNEQGFPLRIJVDLZ-UHFFFAOYSA-N
XLogP-0.14
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-4-(methylcarbamoyl)oxolane-3-carboxylic acid?
The IUPAC name of 2,5-dimethyl-4-(methylcarbamoyl)oxolane-3-carboxylic acid (CID 145278694) is 2,5-dimethyl-4-(methylcarbamoyl)oxolane-3-carboxylic acid.
What is the SMILES notation for 2,5-dimethyl-4-(methylcarbamoyl)oxolane-3-carboxylic acid?
The canonical SMILES for 2,5-dimethyl-4-(methylcarbamoyl)oxolane-3-carboxylic acid is CNC(=O)C1C(C)OC(C)C1C(=O)O.
What is the InChIKey of 2,5-dimethyl-4-(methylcarbamoyl)oxolane-3-carboxylic acid?
The InChIKey is NEQGFPLRIJVDLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO4/c1-4-6(8(11)10-3)7(9(12)13)5(2)14-4/h4-7H,1-3H3,(H,10,11)(H,12,13).
What are the key properties of 2,5-dimethyl-4-(methylcarbamoyl)oxolane-3-carboxylic acid?
2,5-dimethyl-4-(methylcarbamoyl)oxolane-3-carboxylic acid has a molecular weight of 201.22 g/mol, XLogP of -0.14, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-4-(methylcarbamoyl)oxolane-3-carboxylic acid is sourced from PubChem (CID 145278694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).