methyl 3-[(2-ethoxyacetyl)-(2,2,2-trifluoroethyl)amino]propanoate

C10H16F3NO4 — CID 60794009

IUPACmethyl 3-[(2-ethoxyacetyl)-(2,2,2-trifluoroethyl)amino]propanoate
SMILESCCOCC(=O)N(CCC(=O)OC)CC(F)(F)F
InChIInChI=1S/C10H16F3NO4/c1-3-18-6-8(15)14(7-10(11,12)13)5-4-9(16)17-2/h3-7H2,1-2H3
InChIKeyQXRZOMOJZGPEGC-UHFFFAOYSA-N
MW271.23 g/mol
LogP0.98
Rot. Bonds7

About methyl 3-[(2-ethoxyacetyl)-(2,2,2-trifluoroethyl)amino]propanoate

methyl 3-[(2-ethoxyacetyl)-(2,2,2-trifluoroethyl)amino]propanoate (PubChem CID 60794009) has the molecular formula C10H16F3NO4 and a molecular weight of 271.23 g/mol. Its IUPAC name is methyl 3-[(2-ethoxyacetyl)-(2,2,2-trifluoroethyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[(2-ethoxyacetyl)-(2,2,2-trifluoroethyl)amino]propanoate
PubChem CID60794009
Molecular FormulaC10H16F3NO4
Molecular Weight271.23 g/mol
Exact Mass271.10
IUPAC Namemethyl 3-[(2-ethoxyacetyl)-(2,2,2-trifluoroethyl)amino]propanoate
SMILESCCOCC(=O)N(CCC(=O)OC)CC(F)(F)F
InChIInChI=1S/C10H16F3NO4/c1-3-18-6-8(15)14(7-10(11,12)13)5-4-9(16)17-2/h3-7H2,1-2H3
InChIKeyQXRZOMOJZGPEGC-UHFFFAOYSA-N
XLogP0.98
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.23
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-Acetoxy-propionic acid bis-(2-acetoxy-propyl)-amide
CID 223955
N-(2,2,2-trifluoroethyl)-N-ethyl-acetoxyacetamide
CID 13090850
[2-Oxo-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethyl] acetate
CID 57219811
3-Amino-propionic acid dipropylcarbamoylmethyl ester trifluoroacetate
CID 86663346
2-[2-[Methyl(2,2,3,3,3-pentafluoropropanoyl)amino]ethoxy]acetate
CID 140799711
Methyl 3-[ethyl(2-methoxyethyl)amino]-2,2-difluoro-3-oxopropanoate
CID 142304070
3-[(2-Ethoxy-2-oxoacetyl)-(2,2,2-trifluoroethyl)amino]propanoic acid
CID 155340816
Tert-butyl 3-[(2-ethoxy-2-oxoacetyl)-(2,2,2-trifluoroethyl)amino]propanoate
CID 155341204
1-Methoxybutane;2,2,2-trifluoroethyl 2-[ethyl(2-methylpropyl)amino]-2-oxoacetate
CID 169114215
1-Ethoxypropane;2,2,2-trifluoroethyl 2-[ethyl(2-methylpropyl)amino]-2-oxoacetate
CID 169114284
{[2-(Acetyloxy)propanoyl]imino}diethane-2,1-diyl diacetate
CID 229642
N-(1-methoxypropyl)-N-methyl-2-(2,2,2-trifluoroethoxy)propanamide
CID 15399365

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2-ethoxyacetyl)-(2,2,2-trifluoroethyl)amino]propanoate?
The IUPAC name of methyl 3-[(2-ethoxyacetyl)-(2,2,2-trifluoroethyl)amino]propanoate (CID 60794009) is methyl 3-[(2-ethoxyacetyl)-(2,2,2-trifluoroethyl)amino]propanoate.
What is the SMILES notation for methyl 3-[(2-ethoxyacetyl)-(2,2,2-trifluoroethyl)amino]propanoate?
The canonical SMILES for methyl 3-[(2-ethoxyacetyl)-(2,2,2-trifluoroethyl)amino]propanoate is CCOCC(=O)N(CCC(=O)OC)CC(F)(F)F.
What is the InChIKey of methyl 3-[(2-ethoxyacetyl)-(2,2,2-trifluoroethyl)amino]propanoate?
The InChIKey is QXRZOMOJZGPEGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO4/c1-3-18-6-8(15)14(7-10(11,12)13)5-4-9(16)17-2/h3-7H2,1-2H3.
What are the key properties of methyl 3-[(2-ethoxyacetyl)-(2,2,2-trifluoroethyl)amino]propanoate?
methyl 3-[(2-ethoxyacetyl)-(2,2,2-trifluoroethyl)amino]propanoate has a molecular weight of 271.23 g/mol, XLogP of 0.98, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(2-ethoxyacetyl)-(2,2,2-trifluoroethyl)amino]propanoate is sourced from PubChem (CID 60794009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).