[3-hydroxy-1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]carbamic acid

C6H9F3N2O4 — CID 90238216

IUPAC[3-hydroxy-1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]carbamic acid
SMILESO=C(O)NC(CO)C(=O)NCC(F)(F)F
InChIInChI=1S/C6H9F3N2O4/c7-6(8,9)2-10-4(13)3(1-12)11-5(14)15/h3,11-12H,1-2H2,(H,10,13)(H,14,15)
InChIKeyOTNNDVAMLUJLEX-UHFFFAOYSA-N
MW230.14 g/mol
LogP-0.71
Rot. Bonds4

About [3-hydroxy-1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]carbamic acid

[3-hydroxy-1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]carbamic acid (PubChem CID 90238216) has the molecular formula C6H9F3N2O4 and a molecular weight of 230.14 g/mol. Its IUPAC name is [3-hydroxy-1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]carbamic acid.

Molecular Properties

Compound Name[3-hydroxy-1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]carbamic acid
PubChem CID90238216
Molecular FormulaC6H9F3N2O4
Molecular Weight230.14 g/mol
Exact Mass230.05
IUPAC Name[3-hydroxy-1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]carbamic acid
SMILESO=C(O)NC(CO)C(=O)NCC(F)(F)F
InChIInChI=1S/C6H9F3N2O4/c7-6(8,9)2-10-4(13)3(1-12)11-5(14)15/h3,11-12H,1-2H2,(H,10,13)(H,14,15)
InChIKeyOTNNDVAMLUJLEX-UHFFFAOYSA-N
XLogP-0.71
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.14
LogP ≤ 5-0.71
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-hydroxy-1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]carbamic acid?
The IUPAC name of [3-hydroxy-1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]carbamic acid (CID 90238216) is [3-hydroxy-1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]carbamic acid.
What is the SMILES notation for [3-hydroxy-1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]carbamic acid?
The canonical SMILES for [3-hydroxy-1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]carbamic acid is O=C(O)NC(CO)C(=O)NCC(F)(F)F.
What is the InChIKey of [3-hydroxy-1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]carbamic acid?
The InChIKey is OTNNDVAMLUJLEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F3N2O4/c7-6(8,9)2-10-4(13)3(1-12)11-5(14)15/h3,11-12H,1-2H2,(H,10,13)(H,14,15).
What are the key properties of [3-hydroxy-1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]carbamic acid?
[3-hydroxy-1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]carbamic acid has a molecular weight of 230.14 g/mol, XLogP of -0.71, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-hydroxy-1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]carbamic acid is sourced from PubChem (CID 90238216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).