ethane;3-[(2-fluoro-2-methoxyacetyl)amino]propanoic acid

C8H16FNO4 — CID 143459457

IUPACethane;3-[(2-fluoro-2-methoxyacetyl)amino]propanoic acid
SMILESCC.COC(F)C(=O)NCCC(=O)O
InChIInChI=1S/C6H10FNO4.C2H6/c1-12-5(7)6(11)8-3-2-4(9)10;1-2/h5H,2-3H2,1H3,(H,8,11)(H,9,10);1-2H3
InChIKeyVKJFNFPFICNOSM-UHFFFAOYSA-N
MW209.22 g/mol
LogP0.55
Rot. Bonds5

About ethane;3-[(2-fluoro-2-methoxyacetyl)amino]propanoic acid

ethane;3-[(2-fluoro-2-methoxyacetyl)amino]propanoic acid (PubChem CID 143459457) has the molecular formula C8H16FNO4 and a molecular weight of 209.22 g/mol. Its IUPAC name is ethane;3-[(2-fluoro-2-methoxyacetyl)amino]propanoic acid.

Molecular Properties

Compound Nameethane;3-[(2-fluoro-2-methoxyacetyl)amino]propanoic acid
PubChem CID143459457
Molecular FormulaC8H16FNO4
Molecular Weight209.22 g/mol
Exact Mass209.11
IUPAC Nameethane;3-[(2-fluoro-2-methoxyacetyl)amino]propanoic acid
SMILESCC.COC(F)C(=O)NCCC(=O)O
InChIInChI=1S/C6H10FNO4.C2H6/c1-12-5(7)6(11)8-3-2-4(9)10;1-2/h5H,2-3H2,1H3,(H,8,11)(H,9,10);1-2H3
InChIKeyVKJFNFPFICNOSM-UHFFFAOYSA-N
XLogP0.55
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.22
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 145468285
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3-[2-(dimethylamino)propanoylamino]propanoic acid
CID 126638716
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3-[[(2R)-2-(carboxymethylamino)propanoyl]amino]propanoic acid
CID 88998079
3-[[3-[[3-(2-carboxyethylamino)-2-methyl-3-oxopropyl]diazenyl]-2-methylpropanoyl]amino]propanoic acid
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3-[[(2R)-2,4-dihydroxybutanoyl]amino]propanoic acid
CID 102529377
3-(2-carboxyethylcarbamoyl)-4-methylpentanoic acid
CID 10353830

Frequently Asked Questions

What is the IUPAC name of ethane;3-[(2-fluoro-2-methoxyacetyl)amino]propanoic acid?
The IUPAC name of ethane;3-[(2-fluoro-2-methoxyacetyl)amino]propanoic acid (CID 143459457) is ethane;3-[(2-fluoro-2-methoxyacetyl)amino]propanoic acid.
What is the SMILES notation for ethane;3-[(2-fluoro-2-methoxyacetyl)amino]propanoic acid?
The canonical SMILES for ethane;3-[(2-fluoro-2-methoxyacetyl)amino]propanoic acid is CC.COC(F)C(=O)NCCC(=O)O.
What is the InChIKey of ethane;3-[(2-fluoro-2-methoxyacetyl)amino]propanoic acid?
The InChIKey is VKJFNFPFICNOSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10FNO4.C2H6/c1-12-5(7)6(11)8-3-2-4(9)10;1-2/h5H,2-3H2,1H3,(H,8,11)(H,9,10);1-2H3.
What are the key properties of ethane;3-[(2-fluoro-2-methoxyacetyl)amino]propanoic acid?
ethane;3-[(2-fluoro-2-methoxyacetyl)amino]propanoic acid has a molecular weight of 209.22 g/mol, XLogP of 0.55, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-[(2-fluoro-2-methoxyacetyl)amino]propanoic acid is sourced from PubChem (CID 143459457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).