5-[5-fluoropentyl(methyl)amino]-3-(methylamino)-4-oxopentanoic acid

C12H23FN2O3 — CID 22969799

IUPAC5-[5-fluoropentyl(methyl)amino]-3-(methylamino)-4-oxopentanoic acid
SMILESCNC(CC(=O)O)C(=O)CN(C)CCCCCF
InChIInChI=1S/C12H23FN2O3/c1-14-10(8-12(17)18)11(16)9-15(2)7-5-3-4-6-13/h10,14H,3-9H2,1-2H3,(H,17,18)
InChIKeyWZGAWAYTKXEKGS-UHFFFAOYSA-N
MW262.32 g/mol
LogP0.69
Rot. Bonds11

About 5-[5-fluoropentyl(methyl)amino]-3-(methylamino)-4-oxopentanoic acid

5-[5-fluoropentyl(methyl)amino]-3-(methylamino)-4-oxopentanoic acid (PubChem CID 22969799) has the molecular formula C12H23FN2O3 and a molecular weight of 262.32 g/mol. Its IUPAC name is 5-[5-fluoropentyl(methyl)amino]-3-(methylamino)-4-oxopentanoic acid.

Molecular Properties

Compound Name5-[5-fluoropentyl(methyl)amino]-3-(methylamino)-4-oxopentanoic acid
PubChem CID22969799
Molecular FormulaC12H23FN2O3
Molecular Weight262.32 g/mol
Exact Mass262.17
IUPAC Name5-[5-fluoropentyl(methyl)amino]-3-(methylamino)-4-oxopentanoic acid
SMILESCNC(CC(=O)O)C(=O)CN(C)CCCCCF
InChIInChI=1S/C12H23FN2O3/c1-14-10(8-12(17)18)11(16)9-15(2)7-5-3-4-6-13/h10,14H,3-9H2,1-2H3,(H,17,18)
InChIKeyWZGAWAYTKXEKGS-UHFFFAOYSA-N
XLogP0.69
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.32
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[5-fluoropentyl(methyl)amino]-3-(methylamino)-4-oxopentanoic acid?
The IUPAC name of 5-[5-fluoropentyl(methyl)amino]-3-(methylamino)-4-oxopentanoic acid (CID 22969799) is 5-[5-fluoropentyl(methyl)amino]-3-(methylamino)-4-oxopentanoic acid.
What is the SMILES notation for 5-[5-fluoropentyl(methyl)amino]-3-(methylamino)-4-oxopentanoic acid?
The canonical SMILES for 5-[5-fluoropentyl(methyl)amino]-3-(methylamino)-4-oxopentanoic acid is CNC(CC(=O)O)C(=O)CN(C)CCCCCF.
What is the InChIKey of 5-[5-fluoropentyl(methyl)amino]-3-(methylamino)-4-oxopentanoic acid?
The InChIKey is WZGAWAYTKXEKGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23FN2O3/c1-14-10(8-12(17)18)11(16)9-15(2)7-5-3-4-6-13/h10,14H,3-9H2,1-2H3,(H,17,18).
What are the key properties of 5-[5-fluoropentyl(methyl)amino]-3-(methylamino)-4-oxopentanoic acid?
5-[5-fluoropentyl(methyl)amino]-3-(methylamino)-4-oxopentanoic acid has a molecular weight of 262.32 g/mol, XLogP of 0.69, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-fluoropentyl(methyl)amino]-3-(methylamino)-4-oxopentanoic acid is sourced from PubChem (CID 22969799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).