4-[[2-hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]amino]-3-methyloxolane-3-carboxylic acid

C11H17F3N2O5 — CID 107482045

IUPAC4-[[2-hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]amino]-3-methyloxolane-3-carboxylic acid
SMILESCC1(C(=O)O)COCC1NC(=O)N(CCO)CC(F)(F)F
InChIInChI=1S/C11H17F3N2O5/c1-10(8(18)19)6-21-4-7(10)15-9(20)16(2-3-17)5-11(12,13)14/h7,17H,2-6H2,1H3,(H,15,20)(H,18,19)
InChIKeyGBVYEVBDPVFNNP-UHFFFAOYSA-N
MW314.26 g/mol
LogP0.04
Rot. Bonds5

About 4-[[2-hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]amino]-3-methyloxolane-3-carboxylic acid

4-[[2-hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]amino]-3-methyloxolane-3-carboxylic acid (PubChem CID 107482045) has the molecular formula C11H17F3N2O5 and a molecular weight of 314.26 g/mol. Its IUPAC name is 4-[[2-hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]amino]-3-methyloxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[[2-hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]amino]-3-methyloxolane-3-carboxylic acid
PubChem CID107482045
Molecular FormulaC11H17F3N2O5
Molecular Weight314.26 g/mol
Exact Mass314.11
IUPAC Name4-[[2-hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]amino]-3-methyloxolane-3-carboxylic acid
SMILESCC1(C(=O)O)COCC1NC(=O)N(CCO)CC(F)(F)F
InChIInChI=1S/C11H17F3N2O5/c1-10(8(18)19)6-21-4-7(10)15-9(20)16(2-3-17)5-11(12,13)14/h7,17H,2-6H2,1H3,(H,15,20)(H,18,19)
InChIKeyGBVYEVBDPVFNNP-UHFFFAOYSA-N
XLogP0.04
TPSA99.10 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.26
LogP ≤ 50.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]amino]-3-methyloxolane-3-carboxylic acid?
The IUPAC name of 4-[[2-hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]amino]-3-methyloxolane-3-carboxylic acid (CID 107482045) is 4-[[2-hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]amino]-3-methyloxolane-3-carboxylic acid.
What is the SMILES notation for 4-[[2-hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]amino]-3-methyloxolane-3-carboxylic acid?
The canonical SMILES for 4-[[2-hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]amino]-3-methyloxolane-3-carboxylic acid is CC1(C(=O)O)COCC1NC(=O)N(CCO)CC(F)(F)F.
What is the InChIKey of 4-[[2-hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]amino]-3-methyloxolane-3-carboxylic acid?
The InChIKey is GBVYEVBDPVFNNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O5/c1-10(8(18)19)6-21-4-7(10)15-9(20)16(2-3-17)5-11(12,13)14/h7,17H,2-6H2,1H3,(H,15,20)(H,18,19).
What are the key properties of 4-[[2-hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]amino]-3-methyloxolane-3-carboxylic acid?
4-[[2-hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]amino]-3-methyloxolane-3-carboxylic acid has a molecular weight of 314.26 g/mol, XLogP of 0.04, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]amino]-3-methyloxolane-3-carboxylic acid is sourced from PubChem (CID 107482045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).