ethyl 2-[acetyl(fluoro)amino]acetate

C6H10FNO3 — CID 15813343

IUPACethyl 2-[acetyl(fluoro)amino]acetate
SMILESCCOC(=O)CN(F)C(C)=O
InChIInChI=1S/C6H10FNO3/c1-3-11-6(10)4-8(7)5(2)9/h3-4H2,1-2H3
InChIKeyUSWWEYVLXDCUDI-UHFFFAOYSA-N
MW163.15 g/mol
LogP0.28
Rot. Bonds3

About ethyl 2-[acetyl(fluoro)amino]acetate

ethyl 2-[acetyl(fluoro)amino]acetate (PubChem CID 15813343) has the molecular formula C6H10FNO3 and a molecular weight of 163.15 g/mol. Its IUPAC name is ethyl 2-[acetyl(fluoro)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[acetyl(fluoro)amino]acetate
PubChem CID15813343
Molecular FormulaC6H10FNO3
Molecular Weight163.15 g/mol
Exact Mass163.06
IUPAC Nameethyl 2-[acetyl(fluoro)amino]acetate
SMILESCCOC(=O)CN(F)C(C)=O
InChIInChI=1S/C6H10FNO3/c1-3-11-6(10)4-8(7)5(2)9/h3-4H2,1-2H3
InChIKeyUSWWEYVLXDCUDI-UHFFFAOYSA-N
XLogP0.28
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.15
LogP ≤ 50.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

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CID 27397
N-acetyl sarcosine O-methyl ester
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ethyl (2S)-2-[acetyl(fluoro)amino]propanoate
CID 101696736
ethyl 2-(2,2,2-trifluoro-N-methylacetamido)acetate
CID 54595828
Ethyl 2-((2-fluoroethyl)(methyl)amino)-2-oxoacetate
CID 86634927
Ethyl 2-[ethyl-(2-fluoroacetyl)amino]acetate
CID 170570621
Glycine, N-methyl-N-methoxycarbonyl-, ethyl ester
CID 61233743
2-(N-Methylacetamido)ethyl acetate
CID 12797760
Ethyl 2-[ethyl(methyl)amino]-2-oxoacetate
CID 60895208
ethyl N-formylglycine ethyl ester
CID 64992108
Ethyl 2-[ethyl-(2,2,2-trifluoroacetyl)amino]acetate
CID 61012400
Ethyl 2-[(2,2-difluoroacetyl)-ethylamino]acetate
CID 103514331

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[acetyl(fluoro)amino]acetate?
The IUPAC name of ethyl 2-[acetyl(fluoro)amino]acetate (CID 15813343) is ethyl 2-[acetyl(fluoro)amino]acetate.
What is the SMILES notation for ethyl 2-[acetyl(fluoro)amino]acetate?
The canonical SMILES for ethyl 2-[acetyl(fluoro)amino]acetate is CCOC(=O)CN(F)C(C)=O.
What is the InChIKey of ethyl 2-[acetyl(fluoro)amino]acetate?
The InChIKey is USWWEYVLXDCUDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10FNO3/c1-3-11-6(10)4-8(7)5(2)9/h3-4H2,1-2H3.
What are the key properties of ethyl 2-[acetyl(fluoro)amino]acetate?
ethyl 2-[acetyl(fluoro)amino]acetate has a molecular weight of 163.15 g/mol, XLogP of 0.28, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[acetyl(fluoro)amino]acetate is sourced from PubChem (CID 15813343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).