4-hydroxy-5-(methoxymethyl)-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]oxolane-2-carboxamide

C11H17F3N2O5 — CID 20762863

IUPAC4-hydroxy-5-(methoxymethyl)-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]oxolane-2-carboxamide
SMILESCOCC1OC(C(=O)NCCNC(=O)C(F)(F)F)CC1O
InChIInChI=1S/C11H17F3N2O5/c1-20-5-8-6(17)4-7(21-8)9(18)15-2-3-16-10(19)11(12,13)14/h6-8,17H,2-5H2,1H3,(H,15,18)(H,16,19)
InChIKeyFWLXZIISUGNHPL-UHFFFAOYSA-N
MW314.26 g/mol
LogP-1.05
Rot. Bonds6

About 4-hydroxy-5-(methoxymethyl)-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]oxolane-2-carboxamide

4-hydroxy-5-(methoxymethyl)-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]oxolane-2-carboxamide (PubChem CID 20762863) has the molecular formula C11H17F3N2O5 and a molecular weight of 314.26 g/mol. Its IUPAC name is 4-hydroxy-5-(methoxymethyl)-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name4-hydroxy-5-(methoxymethyl)-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]oxolane-2-carboxamide
PubChem CID20762863
Molecular FormulaC11H17F3N2O5
Molecular Weight314.26 g/mol
Exact Mass314.11
IUPAC Name4-hydroxy-5-(methoxymethyl)-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]oxolane-2-carboxamide
SMILESCOCC1OC(C(=O)NCCNC(=O)C(F)(F)F)CC1O
InChIInChI=1S/C11H17F3N2O5/c1-20-5-8-6(17)4-7(21-8)9(18)15-2-3-16-10(19)11(12,13)14/h6-8,17H,2-5H2,1H3,(H,15,18)(H,16,19)
InChIKeyFWLXZIISUGNHPL-UHFFFAOYSA-N
XLogP-1.05
TPSA96.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.26
LogP ≤ 5-1.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-(methoxymethyl)-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]oxolane-2-carboxamide?
The IUPAC name of 4-hydroxy-5-(methoxymethyl)-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]oxolane-2-carboxamide (CID 20762863) is 4-hydroxy-5-(methoxymethyl)-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]oxolane-2-carboxamide.
What is the SMILES notation for 4-hydroxy-5-(methoxymethyl)-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]oxolane-2-carboxamide?
The canonical SMILES for 4-hydroxy-5-(methoxymethyl)-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]oxolane-2-carboxamide is COCC1OC(C(=O)NCCNC(=O)C(F)(F)F)CC1O.
What is the InChIKey of 4-hydroxy-5-(methoxymethyl)-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]oxolane-2-carboxamide?
The InChIKey is FWLXZIISUGNHPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O5/c1-20-5-8-6(17)4-7(21-8)9(18)15-2-3-16-10(19)11(12,13)14/h6-8,17H,2-5H2,1H3,(H,15,18)(H,16,19).
What are the key properties of 4-hydroxy-5-(methoxymethyl)-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]oxolane-2-carboxamide?
4-hydroxy-5-(methoxymethyl)-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]oxolane-2-carboxamide has a molecular weight of 314.26 g/mol, XLogP of -1.05, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-(methoxymethyl)-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]oxolane-2-carboxamide is sourced from PubChem (CID 20762863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).