tert-butyl N-[3-hydroxy-1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]carbamate

C10H17F3N2O4 — CID 90244844

IUPACtert-butyl N-[3-hydroxy-1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)NC(CO)C(=O)NCC(F)(F)F
InChIInChI=1S/C10H17F3N2O4/c1-9(2,3)19-8(18)15-6(4-16)7(17)14-5-10(11,12)13/h6,16H,4-5H2,1-3H3,(H,14,17)(H,15,18)
InChIKeyYMUIMYFVJBWZAP-UHFFFAOYSA-N
MW286.25 g/mol
LogP0.55
Rot. Bonds4

About tert-butyl N-[3-hydroxy-1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]carbamate

tert-butyl N-[3-hydroxy-1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]carbamate (PubChem CID 90244844) has the molecular formula C10H17F3N2O4 and a molecular weight of 286.25 g/mol. Its IUPAC name is tert-butyl N-[3-hydroxy-1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-hydroxy-1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]carbamate
PubChem CID90244844
Molecular FormulaC10H17F3N2O4
Molecular Weight286.25 g/mol
Exact Mass286.11
IUPAC Nametert-butyl N-[3-hydroxy-1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)NC(CO)C(=O)NCC(F)(F)F
InChIInChI=1S/C10H17F3N2O4/c1-9(2,3)19-8(18)15-6(4-16)7(17)14-5-10(11,12)13/h6,16H,4-5H2,1-3H3,(H,14,17)(H,15,18)
InChIKeyYMUIMYFVJBWZAP-UHFFFAOYSA-N
XLogP0.55
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.25
LogP ≤ 50.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-hydroxy-1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[3-hydroxy-1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]carbamate (CID 90244844) is tert-butyl N-[3-hydroxy-1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[3-hydroxy-1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[3-hydroxy-1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]carbamate is CC(C)(C)OC(=O)NC(CO)C(=O)NCC(F)(F)F.
What is the InChIKey of tert-butyl N-[3-hydroxy-1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]carbamate?
The InChIKey is YMUIMYFVJBWZAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O4/c1-9(2,3)19-8(18)15-6(4-16)7(17)14-5-10(11,12)13/h6,16H,4-5H2,1-3H3,(H,14,17)(H,15,18).
What are the key properties of tert-butyl N-[3-hydroxy-1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]carbamate?
tert-butyl N-[3-hydroxy-1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]carbamate has a molecular weight of 286.25 g/mol, XLogP of 0.55, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-hydroxy-1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]carbamate is sourced from PubChem (CID 90244844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).