ethyl 2-[(2-fluoroacetyl)amino]acetate

C6H10FNO3 — CID 9749

IUPACethyl 2-[(2-fluoroacetyl)amino]acetate
SMILESCCOC(=O)CNC(=O)CF
InChIInChI=1S/C6H10FNO3/c1-2-11-6(10)4-8-5(9)3-7/h2-4H2,1H3,(H,8,9)
InChIKeyQIWSVAKAGUNSIK-UHFFFAOYSA-N
MW163.15 g/mol
LogP-0.36
Rot. Bonds4

About ethyl 2-[(2-fluoroacetyl)amino]acetate

ethyl 2-[(2-fluoroacetyl)amino]acetate (PubChem CID 9749) has the molecular formula C6H10FNO3 and a molecular weight of 163.15 g/mol. Its IUPAC name is ethyl 2-[(2-fluoroacetyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[(2-fluoroacetyl)amino]acetate
PubChem CID9749
Molecular FormulaC6H10FNO3
Molecular Weight163.15 g/mol
Exact Mass163.06
IUPAC Nameethyl 2-[(2-fluoroacetyl)amino]acetate
SMILESCCOC(=O)CNC(=O)CF
InChIInChI=1S/C6H10FNO3/c1-2-11-6(10)4-8-5(9)3-7/h2-4H2,1H3,(H,8,9)
InChIKeyQIWSVAKAGUNSIK-UHFFFAOYSA-N
XLogP-0.36
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.15
LogP ≤ 5-0.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 74702
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CID 517966
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CID 12591597
2-Acetamidoethyl acetate
CID 85319
Glycine, N-formyl-, ethyl ester
CID 76615
Methyl (propionylamino)acetate
CID 533879
Ethyl 2-(2-aminoacetamido)acetate hydrochloride
CID 2827263
Ethyl 2-(2,2,2-trifluoroacetamido)acetate
CID 580910
Ethyl glycylglycinate
CID 124706
Methyl 2-(2-Aminoacetamido)Acetate
CID 3248350
ethyl N-acetyl-l-alaninate
CID 11805045

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2-fluoroacetyl)amino]acetate?
The IUPAC name of ethyl 2-[(2-fluoroacetyl)amino]acetate (CID 9749) is ethyl 2-[(2-fluoroacetyl)amino]acetate.
What is the SMILES notation for ethyl 2-[(2-fluoroacetyl)amino]acetate?
The canonical SMILES for ethyl 2-[(2-fluoroacetyl)amino]acetate is CCOC(=O)CNC(=O)CF.
What is the InChIKey of ethyl 2-[(2-fluoroacetyl)amino]acetate?
The InChIKey is QIWSVAKAGUNSIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10FNO3/c1-2-11-6(10)4-8-5(9)3-7/h2-4H2,1H3,(H,8,9).
What are the key properties of ethyl 2-[(2-fluoroacetyl)amino]acetate?
ethyl 2-[(2-fluoroacetyl)amino]acetate has a molecular weight of 163.15 g/mol, XLogP of -0.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2-fluoroacetyl)amino]acetate is sourced from PubChem (CID 9749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).