(2R,5S)-5-[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]oxolane-2-carboxylic acid

C11H14F3NO4 — CID 102945105

IUPAC(2R,5S)-5-[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]oxolane-2-carboxylic acid
SMILESO=C(O)[C@H]1CC[C@@H](C(=O)N(CC(F)(F)F)C2CC2)O1
InChIInChI=1S/C11H14F3NO4/c12-11(13,14)5-15(6-1-2-6)9(16)7-3-4-8(19-7)10(17)18/h6-8H,1-5H2,(H,17,18)/t7-,8+/m0/s1
InChIKeyOIZZKBBWJWXOSD-JGVFFNPUSA-N
MW281.23 g/mol
LogP1.17
Rot. Bonds4

About (2R,5S)-5-[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]oxolane-2-carboxylic acid

(2R,5S)-5-[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]oxolane-2-carboxylic acid (PubChem CID 102945105) has the molecular formula C11H14F3NO4 and a molecular weight of 281.23 g/mol. Its IUPAC name is (2R,5S)-5-[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]oxolane-2-carboxylic acid.

Molecular Properties

Compound Name(2R,5S)-5-[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]oxolane-2-carboxylic acid
PubChem CID102945105
Molecular FormulaC11H14F3NO4
Molecular Weight281.23 g/mol
Exact Mass281.09
IUPAC Name(2R,5S)-5-[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]oxolane-2-carboxylic acid
SMILESO=C(O)[C@H]1CC[C@@H](C(=O)N(CC(F)(F)F)C2CC2)O1
InChIInChI=1S/C11H14F3NO4/c12-11(13,14)5-15(6-1-2-6)9(16)7-3-4-8(19-7)10(17)18/h6-8H,1-5H2,(H,17,18)/t7-,8+/m0/s1
InChIKeyOIZZKBBWJWXOSD-JGVFFNPUSA-N
XLogP1.17
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.23
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R,5S)-5-[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]oxolane-2-carboxylic acid?
The IUPAC name of (2R,5S)-5-[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]oxolane-2-carboxylic acid (CID 102945105) is (2R,5S)-5-[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]oxolane-2-carboxylic acid.
What is the SMILES notation for (2R,5S)-5-[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]oxolane-2-carboxylic acid?
The canonical SMILES for (2R,5S)-5-[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]oxolane-2-carboxylic acid is O=C(O)[C@H]1CC[C@@H](C(=O)N(CC(F)(F)F)C2CC2)O1.
What is the InChIKey of (2R,5S)-5-[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]oxolane-2-carboxylic acid?
The InChIKey is OIZZKBBWJWXOSD-JGVFFNPUSA-N. The full InChI is InChI=1S/C11H14F3NO4/c12-11(13,14)5-15(6-1-2-6)9(16)7-3-4-8(19-7)10(17)18/h6-8H,1-5H2,(H,17,18)/t7-,8+/m0/s1.
What are the key properties of (2R,5S)-5-[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]oxolane-2-carboxylic acid?
(2R,5S)-5-[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]oxolane-2-carboxylic acid has a molecular weight of 281.23 g/mol, XLogP of 1.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-5-[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]oxolane-2-carboxylic acid is sourced from PubChem (CID 102945105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).