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

C10H14F3NO4 — CID 102945104

IUPAC(2R,5S)-5-[ethyl(2,2,2-trifluoroethyl)carbamoyl]oxolane-2-carboxylic acid
SMILESCCN(CC(F)(F)F)C(=O)[C@@H]1CC[C@H](C(=O)O)O1
InChIInChI=1S/C10H14F3NO4/c1-2-14(5-10(11,12)13)8(15)6-3-4-7(18-6)9(16)17/h6-7H,2-5H2,1H3,(H,16,17)/t6-,7+/m0/s1
InChIKeyIWZTZZXLSWQKFN-NKWVEPMBSA-N
MW269.22 g/mol
LogP1.03
Rot. Bonds4

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

(2R,5S)-5-[ethyl(2,2,2-trifluoroethyl)carbamoyl]oxolane-2-carboxylic acid (PubChem CID 102945104) has the molecular formula C10H14F3NO4 and a molecular weight of 269.22 g/mol. Its IUPAC name is (2R,5S)-5-[ethyl(2,2,2-trifluoroethyl)carbamoyl]oxolane-2-carboxylic acid.

Molecular Properties

Compound Name(2R,5S)-5-[ethyl(2,2,2-trifluoroethyl)carbamoyl]oxolane-2-carboxylic acid
PubChem CID102945104
Molecular FormulaC10H14F3NO4
Molecular Weight269.22 g/mol
Exact Mass269.09
IUPAC Name(2R,5S)-5-[ethyl(2,2,2-trifluoroethyl)carbamoyl]oxolane-2-carboxylic acid
SMILESCCN(CC(F)(F)F)C(=O)[C@@H]1CC[C@H](C(=O)O)O1
InChIInChI=1S/C10H14F3NO4/c1-2-14(5-10(11,12)13)8(15)6-3-4-7(18-6)9(16)17/h6-7H,2-5H2,1H3,(H,16,17)/t6-,7+/m0/s1
InChIKeyIWZTZZXLSWQKFN-NKWVEPMBSA-N
XLogP1.03
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.22
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[ethyl(2-ethylbutyl)carbamoyl]oxolane-2-carboxylic acid
CID 102687792
(2R,5S)-5-[pentan-3-yl(2,2,2-trifluoroethyl)carbamoyl]oxolane-2-carboxylic acid
CID 102944891
(2R,5S)-5-[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]oxolane-2-carboxylic acid
CID 102945105
(2R,5S)-5-[3-(diethylamino)propyl-ethylcarbamoyl]oxolane-2-carboxylic acid
CID 102991739
2-[ethyl(2,2,2-trifluoroethyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 55011705
5-[2-cyanoethyl(ethyl)carbamoyl]oxolane-2-carboxylic acid
CID 102688228
6-[ethyl(2,2,2-trifluoroethyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 55011704
(2R,5S)-5-[methyl(2-methylbutan-2-yl)carbamoyl]oxolane-2-carboxylic acid
CID 102945287
5-[2-(dimethylamino)ethyl-(2-methylpropyl)carbamoyl]oxolane-2-carboxylic acid
CID 102688222
(2R,5S)-oxolane-2,5-dicarboxylic acid
CID 12667635
(2R,5S)-5-[hexyl(2-hydroxyethyl)carbamoyl]oxolane-2-carboxylic acid
CID 102944931
2-[[cyclobutylmethyl(ethyl)carbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid
CID 107400173

Frequently Asked Questions

What is the IUPAC name of (2R,5S)-5-[ethyl(2,2,2-trifluoroethyl)carbamoyl]oxolane-2-carboxylic acid?
The IUPAC name of (2R,5S)-5-[ethyl(2,2,2-trifluoroethyl)carbamoyl]oxolane-2-carboxylic acid (CID 102945104) is (2R,5S)-5-[ethyl(2,2,2-trifluoroethyl)carbamoyl]oxolane-2-carboxylic acid.
What is the SMILES notation for (2R,5S)-5-[ethyl(2,2,2-trifluoroethyl)carbamoyl]oxolane-2-carboxylic acid?
The canonical SMILES for (2R,5S)-5-[ethyl(2,2,2-trifluoroethyl)carbamoyl]oxolane-2-carboxylic acid is CCN(CC(F)(F)F)C(=O)[C@@H]1CC[C@H](C(=O)O)O1.
What is the InChIKey of (2R,5S)-5-[ethyl(2,2,2-trifluoroethyl)carbamoyl]oxolane-2-carboxylic acid?
The InChIKey is IWZTZZXLSWQKFN-NKWVEPMBSA-N. The full InChI is InChI=1S/C10H14F3NO4/c1-2-14(5-10(11,12)13)8(15)6-3-4-7(18-6)9(16)17/h6-7H,2-5H2,1H3,(H,16,17)/t6-,7+/m0/s1.
What are the key properties of (2R,5S)-5-[ethyl(2,2,2-trifluoroethyl)carbamoyl]oxolane-2-carboxylic acid?
(2R,5S)-5-[ethyl(2,2,2-trifluoroethyl)carbamoyl]oxolane-2-carboxylic acid has a molecular weight of 269.22 g/mol, XLogP of 1.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-5-[ethyl(2,2,2-trifluoroethyl)carbamoyl]oxolane-2-carboxylic acid is sourced from PubChem (CID 102945104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).