3-(2-fluorophenyl)-5-(methylamino)-5-oxopentanoic acid

C12H14FNO3 — CID 82129844

IUPAC3-(2-fluorophenyl)-5-(methylamino)-5-oxopentanoic acid
SMILESCNC(=O)CC(CC(=O)O)c1ccccc1F
InChIInChI=1S/C12H14FNO3/c1-14-11(15)6-8(7-12(16)17)9-4-2-3-5-10(9)13/h2-5,8H,6-7H2,1H3,(H,14,15)(H,16,17)
InChIKeyOGCGLDSWRSNLNU-UHFFFAOYSA-N
MW239.25 g/mol
LogP1.52
Rot. Bonds5

About 3-(2-fluorophenyl)-5-(methylamino)-5-oxopentanoic acid

3-(2-fluorophenyl)-5-(methylamino)-5-oxopentanoic acid (PubChem CID 82129844) has the molecular formula C12H14FNO3 and a molecular weight of 239.25 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-5-(methylamino)-5-oxopentanoic acid.

Molecular Properties

Compound Name3-(2-fluorophenyl)-5-(methylamino)-5-oxopentanoic acid
PubChem CID82129844
Molecular FormulaC12H14FNO3
Molecular Weight239.25 g/mol
Exact Mass239.10
IUPAC Name3-(2-fluorophenyl)-5-(methylamino)-5-oxopentanoic acid
SMILESCNC(=O)CC(CC(=O)O)c1ccccc1F
InChIInChI=1S/C12H14FNO3/c1-14-11(15)6-8(7-12(16)17)9-4-2-3-5-10(9)13/h2-5,8H,6-7H2,1H3,(H,14,15)(H,16,17)
InChIKeyOGCGLDSWRSNLNU-UHFFFAOYSA-N
XLogP1.52
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.25
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-bromophenyl)-5-(methylamino)-5-oxopentanoic acid
CID 82135174
(3S)-5-amino-3-(2-fluorophenyl)-5-oxopentanoic acid
CID 97013866
(3R)-4-amino-3-(2-fluorophenyl)butanoic acid
CID 55275306
3-(4-chlorophenyl)-5-(methylamino)-5-oxopentanoic acid
CID 82132170
2-[3-(2-fluorophenyl)butanoylamino]acetic acid
CID 119171648
2-[3-(2-fluorophenyl)butanoylamino]propanoic acid
CID 119225742
5-(methylamino)-5-oxo-3-thiophen-2-ylpentanoic acid
CID 82128267
2-[1-(2-fluorophenyl)ethylamino]-N-methylacetamide
CID 43214691
2-(2-fluorophenyl)butanedioic acid
CID 50990542
3-(2-fluorophenyl)-5-(1H-indazol-7-ylamino)-5-oxopentanoic acid
CID 91953036
4-[[(1S)-1-(2-fluorophenyl)ethyl]amino]-4-oxobutanoic acid
CID 81380068
3-(2-methylphenyl)-5-oxo-5-(propan-2-ylamino)pentanoic acid
CID 112511684

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-5-(methylamino)-5-oxopentanoic acid?
The IUPAC name of 3-(2-fluorophenyl)-5-(methylamino)-5-oxopentanoic acid (CID 82129844) is 3-(2-fluorophenyl)-5-(methylamino)-5-oxopentanoic acid.
What is the SMILES notation for 3-(2-fluorophenyl)-5-(methylamino)-5-oxopentanoic acid?
The canonical SMILES for 3-(2-fluorophenyl)-5-(methylamino)-5-oxopentanoic acid is CNC(=O)CC(CC(=O)O)c1ccccc1F.
What is the InChIKey of 3-(2-fluorophenyl)-5-(methylamino)-5-oxopentanoic acid?
The InChIKey is OGCGLDSWRSNLNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO3/c1-14-11(15)6-8(7-12(16)17)9-4-2-3-5-10(9)13/h2-5,8H,6-7H2,1H3,(H,14,15)(H,16,17).
What are the key properties of 3-(2-fluorophenyl)-5-(methylamino)-5-oxopentanoic acid?
3-(2-fluorophenyl)-5-(methylamino)-5-oxopentanoic acid has a molecular weight of 239.25 g/mol, XLogP of 1.52, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-5-(methylamino)-5-oxopentanoic acid is sourced from PubChem (CID 82129844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).