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

C10H15F3N2O5 — CID 89328487

IUPAC4-hydroxy-5-(hydroxymethyl)-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]oxolane-2-carboxamide
SMILESO=C(NCCNC(=O)C(F)(F)F)C1CC(O)C(CO)O1
InChIInChI=1S/C10H15F3N2O5/c11-10(12,13)9(19)15-2-1-14-8(18)6-3-5(17)7(4-16)20-6/h5-7,16-17H,1-4H2,(H,14,18)(H,15,19)
InChIKeySIKKGQRBAIAWBE-UHFFFAOYSA-N
MW300.23 g/mol
LogP-1.71
Rot. Bonds5

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

4-hydroxy-5-(hydroxymethyl)-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]oxolane-2-carboxamide (PubChem CID 89328487) has the molecular formula C10H15F3N2O5 and a molecular weight of 300.23 g/mol. Its IUPAC name is 4-hydroxy-5-(hydroxymethyl)-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name4-hydroxy-5-(hydroxymethyl)-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]oxolane-2-carboxamide
PubChem CID89328487
Molecular FormulaC10H15F3N2O5
Molecular Weight300.23 g/mol
Exact Mass300.09
IUPAC Name4-hydroxy-5-(hydroxymethyl)-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]oxolane-2-carboxamide
SMILESO=C(NCCNC(=O)C(F)(F)F)C1CC(O)C(CO)O1
InChIInChI=1S/C10H15F3N2O5/c11-10(12,13)9(19)15-2-1-14-8(18)6-3-5(17)7(4-16)20-6/h5-7,16-17H,1-4H2,(H,14,18)(H,15,19)
InChIKeySIKKGQRBAIAWBE-UHFFFAOYSA-N
XLogP-1.71
TPSA107.89 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.23
LogP ≤ 5-1.71
H-Bond Donors ≤ 54
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-(hydroxymethyl)-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]oxolane-2-carboxamide?
The IUPAC name of 4-hydroxy-5-(hydroxymethyl)-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]oxolane-2-carboxamide (CID 89328487) is 4-hydroxy-5-(hydroxymethyl)-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]oxolane-2-carboxamide.
What is the SMILES notation for 4-hydroxy-5-(hydroxymethyl)-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]oxolane-2-carboxamide?
The canonical SMILES for 4-hydroxy-5-(hydroxymethyl)-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]oxolane-2-carboxamide is O=C(NCCNC(=O)C(F)(F)F)C1CC(O)C(CO)O1.
What is the InChIKey of 4-hydroxy-5-(hydroxymethyl)-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]oxolane-2-carboxamide?
The InChIKey is SIKKGQRBAIAWBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2O5/c11-10(12,13)9(19)15-2-1-14-8(18)6-3-5(17)7(4-16)20-6/h5-7,16-17H,1-4H2,(H,14,18)(H,15,19).
What are the key properties of 4-hydroxy-5-(hydroxymethyl)-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]oxolane-2-carboxamide?
4-hydroxy-5-(hydroxymethyl)-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]oxolane-2-carboxamide has a molecular weight of 300.23 g/mol, XLogP of -1.71, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-(hydroxymethyl)-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]oxolane-2-carboxamide is sourced from PubChem (CID 89328487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).