methyl 2-[(2-methylpropan-2-yl)oxycarbonyl-(2,2,2-trifluoroethyl)amino]acetate

C10H16F3NO4 — CID 171158898

IUPACmethyl 2-[(2-methylpropan-2-yl)oxycarbonyl-(2,2,2-trifluoroethyl)amino]acetate
SMILESCOC(=O)CN(CC(F)(F)F)C(=O)OC(C)(C)C
InChIInChI=1S/C10H16F3NO4/c1-9(2,3)18-8(16)14(5-7(15)17-4)6-10(11,12)13/h5-6H2,1-4H3
InChIKeyXLANBFXOFFAWGG-UHFFFAOYSA-N
MW271.23 g/mol
LogP1.96
Rot. Bonds3

About methyl 2-[(2-methylpropan-2-yl)oxycarbonyl-(2,2,2-trifluoroethyl)amino]acetate

methyl 2-[(2-methylpropan-2-yl)oxycarbonyl-(2,2,2-trifluoroethyl)amino]acetate (PubChem CID 171158898) has the molecular formula C10H16F3NO4 and a molecular weight of 271.23 g/mol. Its IUPAC name is methyl 2-[(2-methylpropan-2-yl)oxycarbonyl-(2,2,2-trifluoroethyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[(2-methylpropan-2-yl)oxycarbonyl-(2,2,2-trifluoroethyl)amino]acetate
PubChem CID171158898
Molecular FormulaC10H16F3NO4
Molecular Weight271.23 g/mol
Exact Mass271.10
IUPAC Namemethyl 2-[(2-methylpropan-2-yl)oxycarbonyl-(2,2,2-trifluoroethyl)amino]acetate
SMILESCOC(=O)CN(CC(F)(F)F)C(=O)OC(C)(C)C
InChIInChI=1S/C10H16F3NO4/c1-9(2,3)18-8(16)14(5-7(15)17-4)6-10(11,12)13/h5-6H2,1-4H3
InChIKeyXLANBFXOFFAWGG-UHFFFAOYSA-N
XLogP1.96
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.23
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-((Tert-butoxycarbonyl)(2,2,2-trifluoroethyl)amino)acetic acid
CID 54593256
2-{[(Tert-butoxy)carbonyl](2-methoxyethyl)amino}acetic acid
CID 54593434
2-{[(Tert-butoxy)carbonyl](2-methoxy-2-oxoethyl)amino}acetic acid
CID 87566391
Methyl 2-((tert-butoxycarbonyl)(methyl)amino)acetate
CID 14018930
Ethyl 2-{bis[(tert-butoxy)carbonyl]amino}-2-fluoroacetate
CID 13594882
Tert-butyl 2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-fluoroacetate
CID 14859121
Methyl 2-[(2-methylpropan-2-yl)oxycarbonyl-prop-2-ynylamino]-2-(trifluoromethyl)but-3-ynoate
CID 135013495
Methyl 2-[(2-methoxy-2-oxoethyl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate
CID 11054434
Methyl 2-[(2-methoxy-2-oxoethyl)-(2,2,2-trifluoroacetyl)amino]acetate
CID 59882299
Methyl 3-fluoro-2-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate
CID 60031899
tert-butyl 2-(2,2,2-trifluoro-N-methylacetamido)acetate
CID 88580260
Tert-butyl 2-[methyl-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyethyl]amino]acetate
CID 129013061

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-methylpropan-2-yl)oxycarbonyl-(2,2,2-trifluoroethyl)amino]acetate?
The IUPAC name of methyl 2-[(2-methylpropan-2-yl)oxycarbonyl-(2,2,2-trifluoroethyl)amino]acetate (CID 171158898) is methyl 2-[(2-methylpropan-2-yl)oxycarbonyl-(2,2,2-trifluoroethyl)amino]acetate.
What is the SMILES notation for methyl 2-[(2-methylpropan-2-yl)oxycarbonyl-(2,2,2-trifluoroethyl)amino]acetate?
The canonical SMILES for methyl 2-[(2-methylpropan-2-yl)oxycarbonyl-(2,2,2-trifluoroethyl)amino]acetate is COC(=O)CN(CC(F)(F)F)C(=O)OC(C)(C)C.
What is the InChIKey of methyl 2-[(2-methylpropan-2-yl)oxycarbonyl-(2,2,2-trifluoroethyl)amino]acetate?
The InChIKey is XLANBFXOFFAWGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO4/c1-9(2,3)18-8(16)14(5-7(15)17-4)6-10(11,12)13/h5-6H2,1-4H3.
What are the key properties of methyl 2-[(2-methylpropan-2-yl)oxycarbonyl-(2,2,2-trifluoroethyl)amino]acetate?
methyl 2-[(2-methylpropan-2-yl)oxycarbonyl-(2,2,2-trifluoroethyl)amino]acetate has a molecular weight of 271.23 g/mol, XLogP of 1.96, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-methylpropan-2-yl)oxycarbonyl-(2,2,2-trifluoroethyl)amino]acetate is sourced from PubChem (CID 171158898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).