5-fluoro-3-(methylamino)-4-oxopentanoic acid

C6H10FNO3 — CID 21137008

IUPAC5-fluoro-3-(methylamino)-4-oxopentanoic acid
SMILESCNC(CC(=O)O)C(=O)CF
InChIInChI=1S/C6H10FNO3/c1-8-4(2-6(10)11)5(9)3-7/h4,8H,2-3H2,1H3,(H,10,11)
InChIKeyFBYKIEKUXDBRIC-UHFFFAOYSA-N
MW163.15 g/mol
LogP-0.41
Rot. Bonds5

About 5-fluoro-3-(methylamino)-4-oxopentanoic acid

5-fluoro-3-(methylamino)-4-oxopentanoic acid (PubChem CID 21137008) has the molecular formula C6H10FNO3 and a molecular weight of 163.15 g/mol. Its IUPAC name is 5-fluoro-3-(methylamino)-4-oxopentanoic acid.

Molecular Properties

Compound Name5-fluoro-3-(methylamino)-4-oxopentanoic acid
PubChem CID21137008
Molecular FormulaC6H10FNO3
Molecular Weight163.15 g/mol
Exact Mass163.06
IUPAC Name5-fluoro-3-(methylamino)-4-oxopentanoic acid
SMILESCNC(CC(=O)O)C(=O)CF
InChIInChI=1S/C6H10FNO3/c1-8-4(2-6(10)11)5(9)3-7/h4,8H,2-3H2,1H3,(H,10,11)
InChIKeyFBYKIEKUXDBRIC-UHFFFAOYSA-N
XLogP-0.41
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.15
LogP ≤ 5-0.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Methylaminolevulinic acid
CID 18730697
3-amino-4-oxo-pentanoic Acid
CID 190323
Aspartyl fluoro-methane
CID 88580502
(3S)-3-(methylamino)-4-oxopentanoic acid
CID 53897766
Methylaminooxopentansaure
CID 87194656
3-Amino-5-fluoro-4-oxopentanoic acid
CID 17870047
Methyl 5-fluoro-3-(methylamino)-4-oxopentanoate
CID 117982700
(3S)-5,5-difluoro-3-(methylamino)-4-oxohexanoic acid
CID 148009391
(3R)-3-(trifluoromethylamino)pentanoic acid
CID 174698576
CID 166600374
CID 166600374
5-Fluoro-3-(1-methoxyethylamino)-4-oxopentanoic acid
CID 142088460
5-Fluoro-3-formamido-4-oxopentanoic acid
CID 142181873

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-(methylamino)-4-oxopentanoic acid?
The IUPAC name of 5-fluoro-3-(methylamino)-4-oxopentanoic acid (CID 21137008) is 5-fluoro-3-(methylamino)-4-oxopentanoic acid.
What is the SMILES notation for 5-fluoro-3-(methylamino)-4-oxopentanoic acid?
The canonical SMILES for 5-fluoro-3-(methylamino)-4-oxopentanoic acid is CNC(CC(=O)O)C(=O)CF.
What is the InChIKey of 5-fluoro-3-(methylamino)-4-oxopentanoic acid?
The InChIKey is FBYKIEKUXDBRIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10FNO3/c1-8-4(2-6(10)11)5(9)3-7/h4,8H,2-3H2,1H3,(H,10,11).
What are the key properties of 5-fluoro-3-(methylamino)-4-oxopentanoic acid?
5-fluoro-3-(methylamino)-4-oxopentanoic acid has a molecular weight of 163.15 g/mol, XLogP of -0.41, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-(methylamino)-4-oxopentanoic acid is sourced from PubChem (CID 21137008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).