ethyl 2-[cyclopropyl(2,2,2-trifluoroethoxycarbonyl)amino]acetate

C10H14F3NO4 — CID 65173932

IUPACethyl 2-[cyclopropyl(2,2,2-trifluoroethoxycarbonyl)amino]acetate
SMILESCCOC(=O)CN(C(=O)OCC(F)(F)F)C1CC1
InChIInChI=1S/C10H14F3NO4/c1-2-17-8(15)5-14(7-3-4-7)9(16)18-6-10(11,12)13/h7H,2-6H2,1H3
InChIKeyZTNBGIHNEJNGEK-UHFFFAOYSA-N
MW269.22 g/mol
LogP1.71
Rot. Bonds5

About ethyl 2-[cyclopropyl(2,2,2-trifluoroethoxycarbonyl)amino]acetate

ethyl 2-[cyclopropyl(2,2,2-trifluoroethoxycarbonyl)amino]acetate (PubChem CID 65173932) has the molecular formula C10H14F3NO4 and a molecular weight of 269.22 g/mol. Its IUPAC name is ethyl 2-[cyclopropyl(2,2,2-trifluoroethoxycarbonyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[cyclopropyl(2,2,2-trifluoroethoxycarbonyl)amino]acetate
PubChem CID65173932
Molecular FormulaC10H14F3NO4
Molecular Weight269.22 g/mol
Exact Mass269.09
IUPAC Nameethyl 2-[cyclopropyl(2,2,2-trifluoroethoxycarbonyl)amino]acetate
SMILESCCOC(=O)CN(C(=O)OCC(F)(F)F)C1CC1
InChIInChI=1S/C10H14F3NO4/c1-2-17-8(15)5-14(7-3-4-7)9(16)18-6-10(11,12)13/h7H,2-6H2,1H3
InChIKeyZTNBGIHNEJNGEK-UHFFFAOYSA-N
XLogP1.71
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.22
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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2,2,2-trifluoroethyl N-cyclopropyl-N-methylcarbamate
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CID 61410290
ethyl 2-[(3-amino-2,2-dimethylpropanoyl)-cyclopropylamino]acetate
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ethyl 2-[(1-aminocyclopropanecarbonyl)-cyclopropylamino]acetate
CID 65465117
ethyl 2-[[(2S)-2-aminopropanoyl]-cyclopropylamino]acetate
CID 61148316
ethyl 2-[3-chloropropanoyl(cyclopropyl)amino]acetate
CID 60949097
ethyl 2-[cyclobutanecarbonyl(cyclopropyl)amino]acetate
CID 55150350
ethyl 2-[cyclopropyl(phenoxycarbonyl)amino]acetate
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CID 69042060

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[cyclopropyl(2,2,2-trifluoroethoxycarbonyl)amino]acetate?
The IUPAC name of ethyl 2-[cyclopropyl(2,2,2-trifluoroethoxycarbonyl)amino]acetate (CID 65173932) is ethyl 2-[cyclopropyl(2,2,2-trifluoroethoxycarbonyl)amino]acetate.
What is the SMILES notation for ethyl 2-[cyclopropyl(2,2,2-trifluoroethoxycarbonyl)amino]acetate?
The canonical SMILES for ethyl 2-[cyclopropyl(2,2,2-trifluoroethoxycarbonyl)amino]acetate is CCOC(=O)CN(C(=O)OCC(F)(F)F)C1CC1.
What is the InChIKey of ethyl 2-[cyclopropyl(2,2,2-trifluoroethoxycarbonyl)amino]acetate?
The InChIKey is ZTNBGIHNEJNGEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3NO4/c1-2-17-8(15)5-14(7-3-4-7)9(16)18-6-10(11,12)13/h7H,2-6H2,1H3.
What are the key properties of ethyl 2-[cyclopropyl(2,2,2-trifluoroethoxycarbonyl)amino]acetate?
ethyl 2-[cyclopropyl(2,2,2-trifluoroethoxycarbonyl)amino]acetate has a molecular weight of 269.22 g/mol, XLogP of 1.71, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[cyclopropyl(2,2,2-trifluoroethoxycarbonyl)amino]acetate is sourced from PubChem (CID 65173932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).