ethyl 2-[[2-[[2-[(2,2,2-trifluoroacetyl)amino]acetyl]amino]acetyl]amino]acetate

C10H14F3N3O5 — CID 44721217

IUPACethyl 2-[[2-[[2-[(2,2,2-trifluoroacetyl)amino]acetyl]amino]acetyl]amino]acetate
SMILESCCOC(=O)CNC(=O)CNC(=O)CNC(=O)C(F)(F)F
InChIInChI=1S/C10H14F3N3O5/c1-2-21-8(19)5-15-6(17)3-14-7(18)4-16-9(20)10(11,12)13/h2-5H2,1H3,(H,14,18)(H,15,17)(H,16,20)
InChIKeyWDANOTVSXDQMQK-UHFFFAOYSA-N
MW313.23 g/mol
LogP-1.54
Rot. Bonds7

About ethyl 2-[[2-[[2-[(2,2,2-trifluoroacetyl)amino]acetyl]amino]acetyl]amino]acetate

ethyl 2-[[2-[[2-[(2,2,2-trifluoroacetyl)amino]acetyl]amino]acetyl]amino]acetate (PubChem CID 44721217) has the molecular formula C10H14F3N3O5 and a molecular weight of 313.23 g/mol. Its IUPAC name is ethyl 2-[[2-[[2-[(2,2,2-trifluoroacetyl)amino]acetyl]amino]acetyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[2-[[2-[(2,2,2-trifluoroacetyl)amino]acetyl]amino]acetyl]amino]acetate
PubChem CID44721217
Molecular FormulaC10H14F3N3O5
Molecular Weight313.23 g/mol
Exact Mass313.09
IUPAC Nameethyl 2-[[2-[[2-[(2,2,2-trifluoroacetyl)amino]acetyl]amino]acetyl]amino]acetate
SMILESCCOC(=O)CNC(=O)CNC(=O)CNC(=O)C(F)(F)F
InChIInChI=1S/C10H14F3N3O5/c1-2-21-8(19)5-15-6(17)3-14-7(18)4-16-9(20)10(11,12)13/h2-5H2,1H3,(H,14,18)(H,15,17)(H,16,20)
InChIKeyWDANOTVSXDQMQK-UHFFFAOYSA-N
XLogP-1.54
TPSA113.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.23
LogP ≤ 5-1.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze ethyl 2-[[2-[[2-[(2,2,2-trifluoroacetyl)amino]acetyl]amino]acetyl]amino]acetate with MolForge

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Related Compounds

ethyl 2-[[2-[(2-aminoacetyl)amino]acetyl]amino]acetate
CID 7020070
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CID 46781708
ethyl 2-[[(Z)-5,5,5-trifluoro-4-oxopent-2-en-2-yl]amino]acetate
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ethyl 2-[[2-(2-methoxyethylamino)acetyl]amino]acetate
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(2-ethoxy-2-oxoethyl)carbamothioic S-acid
CID 123218548

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-[[2-[(2,2,2-trifluoroacetyl)amino]acetyl]amino]acetyl]amino]acetate?
The IUPAC name of ethyl 2-[[2-[[2-[(2,2,2-trifluoroacetyl)amino]acetyl]amino]acetyl]amino]acetate (CID 44721217) is ethyl 2-[[2-[[2-[(2,2,2-trifluoroacetyl)amino]acetyl]amino]acetyl]amino]acetate.
What is the SMILES notation for ethyl 2-[[2-[[2-[(2,2,2-trifluoroacetyl)amino]acetyl]amino]acetyl]amino]acetate?
The canonical SMILES for ethyl 2-[[2-[[2-[(2,2,2-trifluoroacetyl)amino]acetyl]amino]acetyl]amino]acetate is CCOC(=O)CNC(=O)CNC(=O)CNC(=O)C(F)(F)F.
What is the InChIKey of ethyl 2-[[2-[[2-[(2,2,2-trifluoroacetyl)amino]acetyl]amino]acetyl]amino]acetate?
The InChIKey is WDANOTVSXDQMQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O5/c1-2-21-8(19)5-15-6(17)3-14-7(18)4-16-9(20)10(11,12)13/h2-5H2,1H3,(H,14,18)(H,15,17)(H,16,20).
What are the key properties of ethyl 2-[[2-[[2-[(2,2,2-trifluoroacetyl)amino]acetyl]amino]acetyl]amino]acetate?
ethyl 2-[[2-[[2-[(2,2,2-trifluoroacetyl)amino]acetyl]amino]acetyl]amino]acetate has a molecular weight of 313.23 g/mol, XLogP of -1.54, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-[[2-[(2,2,2-trifluoroacetyl)amino]acetyl]amino]acetyl]amino]acetate is sourced from PubChem (CID 44721217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).