5-[1-cyclopropylethyl(methyl)carbamoyl]oxolane-2-carboxylic acid

C12H19NO4 — CID 102687681

IUPAC5-[1-cyclopropylethyl(methyl)carbamoyl]oxolane-2-carboxylic acid
SMILESCC(C1CC1)N(C)C(=O)C1CCC(C(=O)O)O1
InChIInChI=1S/C12H19NO4/c1-7(8-3-4-8)13(2)11(14)9-5-6-10(17-9)12(15)16/h7-10H,3-6H2,1-2H3,(H,15,16)
InChIKeyUTBRQISAIUQDSU-UHFFFAOYSA-N
MW241.29 g/mol
LogP0.88
Rot. Bonds4

About 5-[1-cyclopropylethyl(methyl)carbamoyl]oxolane-2-carboxylic acid

5-[1-cyclopropylethyl(methyl)carbamoyl]oxolane-2-carboxylic acid (PubChem CID 102687681) has the molecular formula C12H19NO4 and a molecular weight of 241.29 g/mol. Its IUPAC name is 5-[1-cyclopropylethyl(methyl)carbamoyl]oxolane-2-carboxylic acid.

Molecular Properties

Compound Name5-[1-cyclopropylethyl(methyl)carbamoyl]oxolane-2-carboxylic acid
PubChem CID102687681
Molecular FormulaC12H19NO4
Molecular Weight241.29 g/mol
Exact Mass241.13
IUPAC Name5-[1-cyclopropylethyl(methyl)carbamoyl]oxolane-2-carboxylic acid
SMILESCC(C1CC1)N(C)C(=O)C1CCC(C(=O)O)O1
InChIInChI=1S/C12H19NO4/c1-7(8-3-4-8)13(2)11(14)9-5-6-10(17-9)12(15)16/h7-10H,3-6H2,1-2H3,(H,15,16)
InChIKeyUTBRQISAIUQDSU-UHFFFAOYSA-N
XLogP0.88
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[1-cyclopropylethyl(methyl)carbamoyl]oxolane-2-carboxylic acid?
The IUPAC name of 5-[1-cyclopropylethyl(methyl)carbamoyl]oxolane-2-carboxylic acid (CID 102687681) is 5-[1-cyclopropylethyl(methyl)carbamoyl]oxolane-2-carboxylic acid.
What is the SMILES notation for 5-[1-cyclopropylethyl(methyl)carbamoyl]oxolane-2-carboxylic acid?
The canonical SMILES for 5-[1-cyclopropylethyl(methyl)carbamoyl]oxolane-2-carboxylic acid is CC(C1CC1)N(C)C(=O)C1CCC(C(=O)O)O1.
What is the InChIKey of 5-[1-cyclopropylethyl(methyl)carbamoyl]oxolane-2-carboxylic acid?
The InChIKey is UTBRQISAIUQDSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO4/c1-7(8-3-4-8)13(2)11(14)9-5-6-10(17-9)12(15)16/h7-10H,3-6H2,1-2H3,(H,15,16).
What are the key properties of 5-[1-cyclopropylethyl(methyl)carbamoyl]oxolane-2-carboxylic acid?
5-[1-cyclopropylethyl(methyl)carbamoyl]oxolane-2-carboxylic acid has a molecular weight of 241.29 g/mol, XLogP of 0.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-cyclopropylethyl(methyl)carbamoyl]oxolane-2-carboxylic acid is sourced from PubChem (CID 102687681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).