methyl 5-amino-2-fluoro-4-oxopentanoate

C6H10FNO3 — CID 45122439

IUPACmethyl 5-amino-2-fluoro-4-oxopentanoate
SMILESCOC(=O)C(F)CC(=O)CN
InChIInChI=1S/C6H10FNO3/c1-11-6(10)5(7)2-4(9)3-8/h5H,2-3,8H2,1H3
InChIKeyAGWDHDUVLIXESU-UHFFFAOYSA-N
MW163.15 g/mol
LogP-0.58
Rot. Bonds4

About methyl 5-amino-2-fluoro-4-oxopentanoate

methyl 5-amino-2-fluoro-4-oxopentanoate (PubChem CID 45122439) has the molecular formula C6H10FNO3 and a molecular weight of 163.15 g/mol. Its IUPAC name is methyl 5-amino-2-fluoro-4-oxopentanoate.

Molecular Properties

Compound Namemethyl 5-amino-2-fluoro-4-oxopentanoate
PubChem CID45122439
Molecular FormulaC6H10FNO3
Molecular Weight163.15 g/mol
Exact Mass163.06
IUPAC Namemethyl 5-amino-2-fluoro-4-oxopentanoate
SMILESCOC(=O)C(F)CC(=O)CN
InChIInChI=1S/C6H10FNO3/c1-11-6(10)5(7)2-4(9)3-8/h5H,2-3,8H2,1H3
InChIKeyAGWDHDUVLIXESU-UHFFFAOYSA-N
XLogP-0.58
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.15
LogP ≤ 5-0.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-2-fluoro-4-oxopentanoate?
The IUPAC name of methyl 5-amino-2-fluoro-4-oxopentanoate (CID 45122439) is methyl 5-amino-2-fluoro-4-oxopentanoate.
What is the SMILES notation for methyl 5-amino-2-fluoro-4-oxopentanoate?
The canonical SMILES for methyl 5-amino-2-fluoro-4-oxopentanoate is COC(=O)C(F)CC(=O)CN.
What is the InChIKey of methyl 5-amino-2-fluoro-4-oxopentanoate?
The InChIKey is AGWDHDUVLIXESU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10FNO3/c1-11-6(10)5(7)2-4(9)3-8/h5H,2-3,8H2,1H3.
What are the key properties of methyl 5-amino-2-fluoro-4-oxopentanoate?
methyl 5-amino-2-fluoro-4-oxopentanoate has a molecular weight of 163.15 g/mol, XLogP of -0.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-2-fluoro-4-oxopentanoate is sourced from PubChem (CID 45122439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).